smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000159562429 361738282 /nfs/dbraw/zinc/73/82/82/361738282.db2.gz WLCTWUHNLXOBBX-ZYHUDNBSSA-N 1 0 276.336 1.501 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000159731399 361823970 /nfs/dbraw/zinc/82/39/70/361823970.db2.gz HKZSKYADYAGMIE-CQSZACIVSA-N 1 0 293.415 1.256 20 70 CDIDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)ccc1F ZINC000159804868 361865494 /nfs/dbraw/zinc/86/54/94/361865494.db2.gz DMYRXXOASCSNHC-UHFFFAOYSA-N 1 0 268.332 1.952 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161192932 361911012 /nfs/dbraw/zinc/91/10/12/361911012.db2.gz MRUMDVZKBRKNEF-QMMMGPOBSA-N 1 0 264.251 1.511 20 70 CDIDRO C[C@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000160367871 539115845 /nfs/dbraw/zinc/11/58/45/539115845.db2.gz HTFBJYMQRHXLCX-ZIAGYGMSSA-N 1 0 275.396 1.985 20 70 CDIDRO Cc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)nc1 ZINC000160034515 362009450 /nfs/dbraw/zinc/00/94/50/362009450.db2.gz VJWLHTPDOWJLRD-MRXNPFEDSA-N 1 0 296.411 1.624 20 70 CDIDRO CC(C)(C)[C@H]([NH2+]Cc1cnc2ccccn12)C(N)=O ZINC000160161822 362042490 /nfs/dbraw/zinc/04/24/90/362042490.db2.gz OACAXHOHNCEBBX-GFCCVEGCSA-N 1 0 260.341 1.324 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160414962 342373813 /nfs/dbraw/zinc/37/38/13/342373813.db2.gz NAEUEDTZKMPBGV-UHFFFAOYSA-N 1 0 275.352 1.898 20 70 CDIDRO C[NH2+]CCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216873216 342439458 /nfs/dbraw/zinc/43/94/58/342439458.db2.gz YJWJIBCRBJJOEU-UHFFFAOYSA-N 1 0 251.374 1.330 20 70 CDIDRO C[N@H+](CCOCC(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159618855 529921180 /nfs/dbraw/zinc/92/11/80/529921180.db2.gz XRAVAPCBOJWPCY-ZJUUUORDSA-N 1 0 255.280 1.658 20 70 CDIDRO COC[C@H]([NH3+])C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000159427332 362321479 /nfs/dbraw/zinc/32/14/79/362321479.db2.gz HOQSCKSFDIRVQH-JTQLQIEISA-N 1 0 292.257 1.175 20 70 CDIDRO [NH3+]CCCNC(=O)/C=C/c1csc(Br)c1 ZINC000160062881 362391229 /nfs/dbraw/zinc/39/12/29/362391229.db2.gz WMYOFUBXGMQACT-NSCUHMNNSA-N 1 0 289.198 1.989 20 70 CDIDRO C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000160125452 362397017 /nfs/dbraw/zinc/39/70/17/362397017.db2.gz OWJJRIQYJOJHTE-BZPMIXESSA-N 1 0 267.417 1.160 20 70 CDIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)O ZINC000160619202 362456365 /nfs/dbraw/zinc/45/63/65/362456365.db2.gz PAEKVYXQVJSRLJ-MRVPVSSYSA-N 1 0 276.178 1.395 20 70 CDIDRO C[NH+](C)CC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159434788 188426017 /nfs/dbraw/zinc/42/60/17/188426017.db2.gz XFNLMUNMJGWMGW-KBPBESRZSA-N 1 0 262.353 1.585 20 70 CDIDRO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000159456645 188426679 /nfs/dbraw/zinc/42/66/79/188426679.db2.gz DZRDCLBZLXAAGO-UHFFFAOYSA-N 1 0 276.233 1.890 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCC[NH2+]1 ZINC000160417514 188471604 /nfs/dbraw/zinc/47/16/04/188471604.db2.gz LGVJTNDPCOGWKT-NSHDSACASA-N 1 0 259.309 1.262 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000160717859 188487585 /nfs/dbraw/zinc/48/75/85/188487585.db2.gz WPTYVJWCRWUCEE-JTQLQIEISA-N 1 0 266.366 1.255 20 70 CDIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000161005868 188502999 /nfs/dbraw/zinc/50/29/99/188502999.db2.gz GMZNIDXWYGEAHW-AWEZNQCLSA-N 1 0 291.395 1.426 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)NCc1ncccc1F ZINC000159962161 363520878 /nfs/dbraw/zinc/52/08/78/363520878.db2.gz RDGFLXYTAKICOD-UHFFFAOYSA-N 1 0 282.363 1.752 20 70 CDIDRO C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Oc1ccccc1F ZINC000161164581 358789493 /nfs/dbraw/zinc/78/94/93/358789493.db2.gz QQENDWVNYQJGQN-QMTHXVAHSA-N 1 0 284.306 1.411 20 70 CDIDRO CCc1ncnc(NCC[N@H+](C)CCOC)c1F ZINC000218002310 359035292 /nfs/dbraw/zinc/03/52/92/359035292.db2.gz IPGPFJPSTVIOFY-UHFFFAOYSA-N 1 0 256.325 1.168 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000159431012 361696932 /nfs/dbraw/zinc/69/69/32/361696932.db2.gz VBRDXWOSGFIGNG-WFASDCNBSA-N 1 0 294.370 1.971 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H](C)O ZINC000159501900 361728767 /nfs/dbraw/zinc/72/87/67/361728767.db2.gz GVGOXXKNWQEANH-BXUZGUMPSA-N 1 0 280.368 1.725 20 70 CDIDRO C[C@H](CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000159544301 361732988 /nfs/dbraw/zinc/73/29/88/361732988.db2.gz XYFBNOIKRLQUPU-QUEVPRLRSA-N 1 0 294.439 1.942 20 70 CDIDRO CCOC(=O)N1CCC[C@H](C(=O)NCC([NH3+])(CC)CC)C1 ZINC000160415395 363855086 /nfs/dbraw/zinc/85/50/86/363855086.db2.gz PQQIZMKECWWXGU-LBPRGKRZSA-N 1 0 299.415 1.489 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccnn1C ZINC000160533805 363978389 /nfs/dbraw/zinc/97/83/89/363978389.db2.gz GIHNTZGQDONDDO-VOTSOKGWSA-N 1 0 250.346 1.067 20 70 CDIDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159419882 364203422 /nfs/dbraw/zinc/20/34/22/364203422.db2.gz SRRIBIYANVNDCI-ZIAGYGMSSA-N 1 0 278.396 1.736 20 70 CDIDRO CCc1nnc(CN(C)CCc2nccs2)[nH]1 ZINC000159495349 364218776 /nfs/dbraw/zinc/21/87/76/364218776.db2.gz ABKBRBFPUFDQNQ-UHFFFAOYSA-N 1 0 251.359 1.498 20 70 CDIDRO CCCOc1cccc(CCNC(=O)C[NH+](C)C)c1 ZINC000159718028 364256329 /nfs/dbraw/zinc/25/63/29/364256329.db2.gz ZOMRMELWIAUGIF-UHFFFAOYSA-N 1 0 264.369 1.696 20 70 CDIDRO CCCn1nc(C)c(C[NH+]2CCC(CC(N)=O)CC2)c1C ZINC000159727637 364257393 /nfs/dbraw/zinc/25/73/93/364257393.db2.gz UPHGOYKOKFKTNG-UHFFFAOYSA-N 1 0 292.427 1.997 20 70 CDIDRO Cc1ccc(C[C@@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)s1 ZINC000159793604 364265526 /nfs/dbraw/zinc/26/55/26/364265526.db2.gz KVFCFQXOWPYGHC-YPMHNXCESA-N 1 0 296.436 1.872 20 70 CDIDRO CC(C)(C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000160235096 364323351 /nfs/dbraw/zinc/32/33/51/364323351.db2.gz PUNFSSPHEJNJGW-GFCCVEGCSA-N 1 0 250.317 1.663 20 70 CDIDRO Cc1cc(F)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160291892 364330447 /nfs/dbraw/zinc/33/04/47/364330447.db2.gz ZJDFWCXEWLATEB-OAHLLOKOSA-N 1 0 294.370 1.711 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000160540376 364369488 /nfs/dbraw/zinc/36/94/88/364369488.db2.gz GPNOVPOURXAPKZ-CYBMUJFWSA-N 1 0 261.369 1.932 20 70 CDIDRO O=C(Cc1cccs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160654609 364390910 /nfs/dbraw/zinc/39/09/10/364390910.db2.gz COFYLBFQOOGYQF-GFCCVEGCSA-N 1 0 282.409 1.254 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccnn2C)CC1 ZINC000161121044 364451129 /nfs/dbraw/zinc/45/11/29/364451129.db2.gz RVLWFJNHNBCYDD-SNAWJCMRSA-N 1 0 276.384 1.281 20 70 CDIDRO COc1ccc([C@@H](C)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000160860651 364421239 /nfs/dbraw/zinc/42/12/39/364421239.db2.gz MDBAFYFYFSLIDN-GFCCVEGCSA-N 1 0 262.353 1.621 20 70 CDIDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181610 364460977 /nfs/dbraw/zinc/46/09/77/364460977.db2.gz DXWXLQZQXXNTMS-IJEWVQPXSA-N 1 0 289.423 1.764 20 70 CDIDRO CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)N1CCCC1=O ZINC000161247047 367807343 /nfs/dbraw/zinc/80/73/43/367807343.db2.gz WZGWLQRHXQJCLK-MELADBBJSA-N 1 0 295.427 1.232 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000160332639 374108879 /nfs/dbraw/zinc/10/88/79/374108879.db2.gz HZXTVSHRAMMIEI-ZFWWWQNUSA-N 1 0 263.337 1.385 20 70 CDIDRO C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC[NH+]1CCCCC1 ZINC000161166462 390953819 /nfs/dbraw/zinc/95/38/19/390953819.db2.gz SQJSRLQTMMWHGZ-KBPBESRZSA-N 1 0 288.457 1.370 20 70 CDIDRO CC(C)(C)c1ncsc1C(=O)N1CCC[NH2+]CC1 ZINC000160844396 390981576 /nfs/dbraw/zinc/98/15/76/390981576.db2.gz GZTVVVXKYZOLTP-UHFFFAOYSA-N 1 0 267.398 1.876 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc2C1)[C@@H](C[NH3+])C1CC1 ZINC000159801601 139905435 /nfs/dbraw/zinc/90/54/35/139905435.db2.gz ZERFLGFAGHZKPJ-KGLIPLIRSA-N 1 0 274.364 1.433 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSC(F)(F)F ZINC000161196435 277027012 /nfs/dbraw/zinc/02/70/12/277027012.db2.gz ZUMKTTHYSXVKQM-ZETCQYMHSA-N 1 0 256.293 1.450 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(=O)C1CCCC1 ZINC000160356814 278162628 /nfs/dbraw/zinc/16/26/28/278162628.db2.gz PZSYUOJBEHPDAR-YPMHNXCESA-N 1 0 281.400 1.021 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161096631 278304448 /nfs/dbraw/zinc/30/44/48/278304448.db2.gz JFNJVOBFRSCYKY-RWEMILLDSA-N 1 0 250.317 1.913 20 70 CDIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000160588803 278789578 /nfs/dbraw/zinc/78/95/78/278789578.db2.gz VXSNKQCKSXHNQF-BETUJISGSA-N 1 0 259.353 1.665 20 70 CDIDRO CCCn1nccc1C[NH2+]CCCC(=O)NC1CC1 ZINC000160174670 482787100 /nfs/dbraw/zinc/78/71/00/482787100.db2.gz PPHDYMVYUUUNES-UHFFFAOYSA-N 1 0 264.373 1.442 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCOCc2ccc(OC)cc2)C1 ZINC000160585671 482812098 /nfs/dbraw/zinc/81/20/98/482812098.db2.gz KFWPOWISQFFSCS-AWEZNQCLSA-N 1 0 292.379 1.422 20 70 CDIDRO COC[C@H](NC(=O)[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000161143883 482864762 /nfs/dbraw/zinc/86/47/62/482864762.db2.gz VSZRJYWMTMKOJR-KWQFWETISA-N 1 0 290.285 1.856 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=CCCC1 ZINC000159906349 534535467 /nfs/dbraw/zinc/53/54/67/534535467.db2.gz BUHLUTXQVDFANU-CYBMUJFWSA-N 1 0 252.358 1.060 20 70 CDIDRO CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160808751 521665232 /nfs/dbraw/zinc/66/52/32/521665232.db2.gz GMAIIGGBYRJARS-CQSZACIVSA-N 1 0 294.443 1.350 20 70 CDIDRO CN(CCC[NH+]1CCCCC1)CCn1cccn1 ZINC000161355220 522749479 /nfs/dbraw/zinc/74/94/79/522749479.db2.gz INGVJVWMOCCYNW-UHFFFAOYSA-N 1 0 250.390 1.691 20 70 CDIDRO CC[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160812565 523668182 /nfs/dbraw/zinc/66/81/82/523668182.db2.gz UPQDCJFGPQQWNK-IUODEOHRSA-N 1 0 283.416 1.464 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C(C)C ZINC000161000736 527969659 /nfs/dbraw/zinc/96/96/59/527969659.db2.gz MNXGSGIGERZVCK-GJZGRUSLSA-N 1 0 299.459 1.813 20 70 CDIDRO CCCc1noc(CCCC(=O)N2CC[C@@H]([NH2+]C)C2)n1 ZINC000160753650 528782923 /nfs/dbraw/zinc/78/29/23/528782923.db2.gz NTSCPYOIEGVKJJ-LLVKDONJSA-N 1 0 280.372 1.165 20 70 CDIDRO CC(C)N(C[C@@H](C)O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159728848 361814246 /nfs/dbraw/zinc/81/42/46/361814246.db2.gz RUYSPXBIEMZJKO-GFCCVEGCSA-N 1 0 283.416 1.414 20 70 CDIDRO CCN1CCC([N@H+](C)CCCCS(C)(=O)=O)CC1 ZINC000161330761 539117488 /nfs/dbraw/zinc/11/74/88/539117488.db2.gz WMSDTQBHYMMSJK-UHFFFAOYSA-N 1 0 276.446 1.227 20 70 CDIDRO C[C@H](C(=O)NC(C)(C)C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161379291 539117584 /nfs/dbraw/zinc/11/75/84/539117584.db2.gz JXUCULJSLHTGJY-CYBMUJFWSA-N 1 0 290.411 1.507 20 70 CDIDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[C@H]1c1ccccc1 ZINC000161235371 362126163 /nfs/dbraw/zinc/12/61/63/362126163.db2.gz SXHDKGIVDCEXOX-BVUBDWEXSA-N 1 0 288.391 1.361 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000216867690 342439400 /nfs/dbraw/zinc/43/94/00/342439400.db2.gz CLIZVMYNGIQUHE-QWRGUYRKSA-N 1 0 293.436 1.808 20 70 CDIDRO CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160536551 529715662 /nfs/dbraw/zinc/71/56/62/529715662.db2.gz AKXNCISKFUEZIR-YPMHNXCESA-N 1 0 254.374 1.545 20 70 CDIDRO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]([NH3+])COC)cc1 ZINC000159438988 362322247 /nfs/dbraw/zinc/32/22/47/362322247.db2.gz KXQAMMOXBNDHJH-ZDUSSCGKSA-N 1 0 293.367 1.081 20 70 CDIDRO Brc1cnccc1NC[C@H]1C[NH2+]CCO1 ZINC000159925840 362380375 /nfs/dbraw/zinc/38/03/75/362380375.db2.gz RGUMCLCNNZNPTN-MRVPVSSYSA-N 1 0 272.146 1.244 20 70 CDIDRO CN(CC(=O)Nc1cccc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000160002337 362386254 /nfs/dbraw/zinc/38/62/54/362386254.db2.gz QUWSCOACFROGLA-ZDUSSCGKSA-N 1 0 265.332 1.433 20 70 CDIDRO COc1cc(NC(=O)C[C@H]2C[NH2+]CCO2)ccc1F ZINC000160340834 362414237 /nfs/dbraw/zinc/41/42/37/362414237.db2.gz WTXGRDGHBFFTCQ-JTQLQIEISA-N 1 0 268.288 1.151 20 70 CDIDRO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160640458 346184346 /nfs/dbraw/zinc/18/43/46/346184346.db2.gz IBVMNXRMQAOROE-TZMCWYRMSA-N 1 0 265.401 1.912 20 70 CDIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000159724600 363233134 /nfs/dbraw/zinc/23/31/34/363233134.db2.gz DCKPJDDUJNSHSD-CYBMUJFWSA-N 1 0 288.351 1.079 20 70 CDIDRO [NH3+]C1(CNC(=O)c2ccncc2F)CCCCC1 ZINC000159464215 188427195 /nfs/dbraw/zinc/42/71/95/188427195.db2.gz GWSFBHPVJDDYSI-UHFFFAOYSA-N 1 0 251.305 1.612 20 70 CDIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000159825144 188443058 /nfs/dbraw/zinc/44/30/58/188443058.db2.gz RIWCFBDWBIQQSJ-GJZGRUSLSA-N 1 0 274.364 1.112 20 70 CDIDRO CCCOc1ccc(/C=C/C(=O)NCCC[NH3+])cc1OC ZINC000160116575 188456374 /nfs/dbraw/zinc/45/63/74/188456374.db2.gz WUJFDCSYCQBRKR-SOFGYWHQSA-N 1 0 292.379 1.962 20 70 CDIDRO COc1ccc([C@H](C)CC(=O)NCCC[NH3+])cc1 ZINC000160110509 188456537 /nfs/dbraw/zinc/45/65/37/188456537.db2.gz CGTPIMAVALXCTI-LLVKDONJSA-N 1 0 250.342 1.654 20 70 CDIDRO Cc1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1F ZINC000161491905 188531233 /nfs/dbraw/zinc/53/12/33/188531233.db2.gz VDPGBBSWGJHVJM-UHFFFAOYSA-N 1 0 250.317 1.958 20 70 CDIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000159368491 358443618 /nfs/dbraw/zinc/44/36/18/358443618.db2.gz MEWUGCPWNXVQPR-HNNXBMFYSA-N 1 0 281.396 1.969 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)[C@H]([NH3+])CCSC ZINC000161167125 358789652 /nfs/dbraw/zinc/78/96/52/358789652.db2.gz ZFWKQBPCVXNBQY-WDEREUQCSA-N 1 0 262.419 1.388 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 ZINC000160273622 237173255 /nfs/dbraw/zinc/17/32/55/237173255.db2.gz GUNUONUFSVQRKY-HNNXBMFYSA-N 1 0 284.363 1.495 20 70 CDIDRO [NH3+][C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000217523020 283566918 /nfs/dbraw/zinc/56/69/18/283566918.db2.gz KXOPVGKTHJQIEH-ZNMIVQPWSA-N 1 0 279.428 1.591 20 70 CDIDRO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C2=O)c1 ZINC000159370635 361672503 /nfs/dbraw/zinc/67/25/03/361672503.db2.gz NIMSPGIIUAXEEQ-TZMCWYRMSA-N 1 0 294.370 1.942 20 70 CDIDRO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159427348 364204078 /nfs/dbraw/zinc/20/40/78/364204078.db2.gz XMYUVJJVABKBIQ-NEPJUHHUSA-N 1 0 280.368 1.725 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000159450067 364207548 /nfs/dbraw/zinc/20/75/48/364207548.db2.gz AJPQLUBWPUWTEZ-NEPJUHHUSA-N 1 0 287.363 1.874 20 70 CDIDRO COCc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159761363 364262287 /nfs/dbraw/zinc/26/22/87/364262287.db2.gz DPUUYQMPRWCDCN-UHFFFAOYSA-N 1 0 276.380 1.920 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159802228 364266796 /nfs/dbraw/zinc/26/67/96/364266796.db2.gz ALSJLFAIXAMHBA-CMPLNLGQSA-N 1 0 250.317 1.750 20 70 CDIDRO C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525057 364226742 /nfs/dbraw/zinc/22/67/42/364226742.db2.gz PDWUYYWJRGKTNT-DLBZAZTESA-N 1 0 276.424 1.864 20 70 CDIDRO Cc1cc(OC(F)F)c(C(=O)N2CC[C@@H]([NH3+])C2)s1 ZINC000160322580 364335649 /nfs/dbraw/zinc/33/56/49/364335649.db2.gz FUIUIWXIAHXMMD-SSDOTTSWSA-N 1 0 276.308 1.831 20 70 CDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCO ZINC000159958840 364286683 /nfs/dbraw/zinc/28/66/83/364286683.db2.gz QAZNNEUKPPNAFN-ZFWWWQNUSA-N 1 0 291.395 1.189 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)OCc1ccccc1Cl ZINC000160090511 364304270 /nfs/dbraw/zinc/30/42/70/364304270.db2.gz FLMWBWUFVDVWMB-ZDUSSCGKSA-N 1 0 298.770 1.483 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160382077 364344204 /nfs/dbraw/zinc/34/42/04/364344204.db2.gz TZNHVOIRNGKQAR-CMPLNLGQSA-N 1 0 250.317 1.564 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000160592954 364379634 /nfs/dbraw/zinc/37/96/34/364379634.db2.gz QKBAQDSEDMCGDO-OAHLLOKOSA-N 1 0 284.363 1.365 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2cccs2)C1 ZINC000160723463 364399762 /nfs/dbraw/zinc/39/97/62/364399762.db2.gz YMDGBSPYTPBMIF-JTQLQIEISA-N 1 0 252.383 1.846 20 70 CDIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)(C)C ZINC000161016420 364438401 /nfs/dbraw/zinc/43/84/01/364438401.db2.gz JCBQCGZFKIJLKI-LLVKDONJSA-N 1 0 291.395 1.426 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161171216 364457709 /nfs/dbraw/zinc/45/77/09/364457709.db2.gz HCENFBZWSKGBAQ-BBRMVZONSA-N 1 0 276.380 1.878 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000161389438 364488363 /nfs/dbraw/zinc/48/83/63/364488363.db2.gz NMHDLGOQCWZYRY-ZDUSSCGKSA-N 1 0 295.408 1.688 20 70 CDIDRO COCCN(CC[NH2+]Cc1cc[nH]c1)C(=O)OC(C)(C)C ZINC000218142801 367261282 /nfs/dbraw/zinc/26/12/82/367261282.db2.gz LZSNHENTOZBIPK-UHFFFAOYSA-N 1 0 297.399 1.988 20 70 CDIDRO CCC(=O)N[C@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161202748 367601110 /nfs/dbraw/zinc/60/11/10/367601110.db2.gz DZLYPNFGPBEQEW-LBPRGKRZSA-N 1 0 283.416 1.269 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000160189855 377031678 /nfs/dbraw/zinc/03/16/78/377031678.db2.gz DNAUMZIDVOHAFO-LLVKDONJSA-N 1 0 266.316 1.544 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000160287537 377044343 /nfs/dbraw/zinc/04/43/43/377044343.db2.gz GQLUESGOBGGZTJ-GFCCVEGCSA-N 1 0 290.754 1.699 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000160206797 390984435 /nfs/dbraw/zinc/98/44/35/390984435.db2.gz XQHKQAJGINBHPC-SNVBAGLBSA-N 1 0 289.310 1.231 20 70 CDIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000159965494 139908560 /nfs/dbraw/zinc/90/85/60/139908560.db2.gz WYHJFKCBGVWDQQ-QMMMGPOBSA-N 1 0 272.295 1.586 20 70 CDIDRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000217615509 140165585 /nfs/dbraw/zinc/16/55/85/140165585.db2.gz ZOTVFEXBBIXCOX-MGPQQGTHSA-N 1 0 268.401 1.480 20 70 CDIDRO COC(CN1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000161197571 292079333 /nfs/dbraw/zinc/07/93/33/292079333.db2.gz PDUVLFNAMFFIBG-CYBMUJFWSA-N 1 0 256.390 1.556 20 70 CDIDRO CN(C(=O)[C@H]1OCCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159777251 273785978 /nfs/dbraw/zinc/78/59/78/273785978.db2.gz RVDMZENOUPSMRY-CABCVRRESA-N 1 0 274.364 1.496 20 70 CDIDRO CN(CC(=O)N1CCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000160120328 276916278 /nfs/dbraw/zinc/91/62/78/276916278.db2.gz PFRYVXYMKUQLLL-OAHLLOKOSA-N 1 0 273.380 1.245 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159762672 277062768 /nfs/dbraw/zinc/06/27/68/277062768.db2.gz FFCOMWWJWJFRMO-CYBMUJFWSA-N 1 0 291.370 1.988 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000160241767 292781267 /nfs/dbraw/zinc/78/12/67/292781267.db2.gz AHZRJLBNKFFMEL-GFCCVEGCSA-N 1 0 271.332 1.580 20 70 CDIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1C(=O)N(C)C ZINC000160514901 482808254 /nfs/dbraw/zinc/80/82/54/482808254.db2.gz WMMZIYGZBPBSSC-KGLIPLIRSA-N 1 0 289.379 1.763 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000160850485 482832878 /nfs/dbraw/zinc/83/28/78/482832878.db2.gz YTZIKDCSHVOCIP-KBPBESRZSA-N 1 0 299.374 1.457 20 70 CDIDRO CSCc1cc(C(=O)NCCC[NH3+])ccc1F ZINC000160090216 533830761 /nfs/dbraw/zinc/83/07/61/533830761.db2.gz GPPYLCNKOGTKIB-UHFFFAOYSA-N 1 0 256.346 1.767 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000161032133 519645215 /nfs/dbraw/zinc/64/52/15/519645215.db2.gz WNLDNYBJKFFJLO-YMAMQOFZSA-N 1 0 284.400 1.219 20 70 CDIDRO O=C(CCc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160699159 534468083 /nfs/dbraw/zinc/46/80/83/534468083.db2.gz KYHXKYCEMSRJDR-MRXNPFEDSA-N 1 0 290.407 1.582 20 70 CDIDRO CO[C@@H]1CCN(Cc2cc(F)ccc2F)[C@H](C[NH3+])C1 ZINC000160981440 523687578 /nfs/dbraw/zinc/68/75/78/523687578.db2.gz CPQUJGCRVMCIQR-QWHCGFSZSA-N 1 0 270.323 1.903 20 70 CDIDRO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n(C)n1 ZINC000160541055 525143332 /nfs/dbraw/zinc/14/33/32/525143332.db2.gz RSPPGRJWDPLSCW-STQMWFEESA-N 1 0 276.384 1.932 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000161217725 527117709 /nfs/dbraw/zinc/11/77/09/527117709.db2.gz VGUHIRFAFDVMSW-MJBXVCDLSA-N 1 0 276.384 1.625 20 70 CDIDRO CCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160738284 527919863 /nfs/dbraw/zinc/91/98/63/527919863.db2.gz CVIZDIZPEBGNIE-KGLIPLIRSA-N 1 0 268.401 1.671 20 70 CDIDRO C[NH2+][C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159979851 536412856 /nfs/dbraw/zinc/41/28/56/536412856.db2.gz BALRFUYKJWLKBH-LBPRGKRZSA-N 1 0 278.352 1.608 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000161158149 537099557 /nfs/dbraw/zinc/09/95/57/537099557.db2.gz XBXIGCGAPSXNLP-NWDGAFQWSA-N 1 0 278.352 1.188 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000161190734 361915816 /nfs/dbraw/zinc/91/58/16/361915816.db2.gz QRFRYTAHTBNMIH-SECBINFHSA-N 1 0 276.262 1.526 20 70 CDIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCC[NH2+]C1 ZINC000161074182 361926039 /nfs/dbraw/zinc/92/60/39/361926039.db2.gz ZBRHDIFQFVSPSJ-LLVKDONJSA-N 1 0 288.326 1.950 20 70 CDIDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCN ZINC000218288239 342439608 /nfs/dbraw/zinc/43/96/08/342439608.db2.gz GTGCWBDRTBWCMU-GFCCVEGCSA-N 1 0 252.358 1.573 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSCc2cccnc2)C1 ZINC000160989833 347010234 /nfs/dbraw/zinc/01/02/34/347010234.db2.gz QQLZJUDSRPQNTH-STQMWFEESA-N 1 0 279.409 1.701 20 70 CDIDRO Cc1cc(C)n(CCC[NH2+]Cc2cn(C)nc2C)n1 ZINC000159599970 362347254 /nfs/dbraw/zinc/34/72/54/362347254.db2.gz ASWZQVNFKQLRMJ-UHFFFAOYSA-N 1 0 261.373 1.722 20 70 CDIDRO COc1ccc(CCC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159831110 362373191 /nfs/dbraw/zinc/37/31/91/362373191.db2.gz PPZCZXXHVHMJKB-HNNXBMFYSA-N 1 0 276.380 1.824 20 70 CDIDRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1C1CC1 ZINC000160488247 362432560 /nfs/dbraw/zinc/43/25/60/362432560.db2.gz PNHNFQFPSLANOW-JGGQBBKZSA-N 1 0 278.396 1.377 20 70 CDIDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]21 ZINC000216847435 344828535 /nfs/dbraw/zinc/82/85/35/344828535.db2.gz KTYAMXMTLSIMQA-PWSUYJOCSA-N 1 0 265.382 1.594 20 70 CDIDRO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CC[NH2+]CC1 ZINC000217692118 344852484 /nfs/dbraw/zinc/85/24/84/344852484.db2.gz JZQBSVUXSWZOMZ-LBPRGKRZSA-N 1 0 266.728 1.075 20 70 CDIDRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000218094086 344859085 /nfs/dbraw/zinc/85/90/85/344859085.db2.gz WVMLRQYVLMNZGX-CQSZACIVSA-N 1 0 288.395 1.118 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000161091038 362579029 /nfs/dbraw/zinc/57/90/29/362579029.db2.gz RQCNGDAMRPHARM-UHFFFAOYSA-N 1 0 296.802 1.900 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)c1ccc(C(N)=S)cc1 ZINC000218168872 366055560 /nfs/dbraw/zinc/05/55/60/366055560.db2.gz WFJGNIAXHSYMIP-UHFFFAOYSA-N 1 0 293.436 1.783 20 70 CDIDRO Cn1c(=O)cccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000160506961 188477318 /nfs/dbraw/zinc/47/73/18/188477318.db2.gz AHDCVGJZPYNNMC-UHFFFAOYSA-N 1 0 291.395 1.378 20 70 CDIDRO Cc1nccc(NC(=O)N2CC([NH+](C)C)C2)c1Cl ZINC000159863765 538845974 /nfs/dbraw/zinc/84/59/74/538845974.db2.gz NTDDBONDBGFQNT-UHFFFAOYSA-N 1 0 268.748 1.821 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCCCOC)CC1 ZINC000160375772 358602706 /nfs/dbraw/zinc/60/27/06/358602706.db2.gz QCYKPZJRAKENGA-UHFFFAOYSA-N 1 0 256.390 1.747 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159494207 358742765 /nfs/dbraw/zinc/74/27/65/358742765.db2.gz FRHRWWKFORIBGP-UFBFGSQYSA-N 1 0 256.296 1.922 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000159496249 358743062 /nfs/dbraw/zinc/74/30/62/358743062.db2.gz DRUYEGARFZXZJE-YVECIDJPSA-N 1 0 256.390 1.192 20 70 CDIDRO C[C@H](COc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000160847551 237185131 /nfs/dbraw/zinc/18/51/31/237185131.db2.gz PDXVDYGBNMOQRT-CYBMUJFWSA-N 1 0 262.353 1.523 20 70 CDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160710625 360826504 /nfs/dbraw/zinc/82/65/04/360826504.db2.gz QDLDWAOKDPNYLY-IACUBPJLSA-N 1 0 281.400 1.337 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000159470733 361707774 /nfs/dbraw/zinc/70/77/74/361707774.db2.gz FIADETZQZGOVNW-RYUDHWBXSA-N 1 0 250.342 1.004 20 70 CDIDRO CC(C)(C)c1nc(CC(=O)N2CC[NH2+]CC2)cs1 ZINC000159450862 364207967 /nfs/dbraw/zinc/20/79/67/364207967.db2.gz QGPQWQMXLKJMNB-UHFFFAOYSA-N 1 0 267.398 1.415 20 70 CDIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cncc(F)c1 ZINC000159553193 364233134 /nfs/dbraw/zinc/23/31/34/364233134.db2.gz BEGCJMWKWMDMJD-NSHDSACASA-N 1 0 265.332 1.884 20 70 CDIDRO [NH3+]CC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159657947 364247692 /nfs/dbraw/zinc/24/76/92/364247692.db2.gz NCRBGORYUCOPBV-UHFFFAOYSA-N 1 0 262.353 1.401 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159694406 364252716 /nfs/dbraw/zinc/25/27/16/364252716.db2.gz SITAXFNNCUAYKM-IUCAKERBSA-N 1 0 290.289 1.901 20 70 CDIDRO Cc1ncsc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159831033 364272183 /nfs/dbraw/zinc/27/21/83/364272183.db2.gz WGLVMBWCWGNUPU-UHFFFAOYSA-N 1 0 253.371 1.539 20 70 CDIDRO O=C(NCC[NH+]1CCCCC1)[C@H](O)c1ccccc1Cl ZINC000159536918 364228055 /nfs/dbraw/zinc/22/80/55/364228055.db2.gz IWORCUBRNCUDNM-CQSZACIVSA-N 1 0 296.798 1.976 20 70 CDIDRO CC(=O)N[C@H](CC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000160118375 364308933 /nfs/dbraw/zinc/30/89/33/364308933.db2.gz MRSVNSXOYPEKLE-CYBMUJFWSA-N 1 0 297.786 1.372 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCCc1ccc(Cl)nc1 ZINC000160529537 364367514 /nfs/dbraw/zinc/36/75/14/364367514.db2.gz ZCKGBCOCEIBIOQ-JTQLQIEISA-N 1 0 255.749 1.521 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(Cl)nc1 ZINC000160529678 364367955 /nfs/dbraw/zinc/36/79/55/364367955.db2.gz ZCKGBCOCEIBIOQ-SNVBAGLBSA-N 1 0 255.749 1.521 20 70 CDIDRO Cc1nc2c(s1)[C@H]([NH2+]CC(=O)NC(C)C)CCC2 ZINC000160981070 364435090 /nfs/dbraw/zinc/43/50/90/364435090.db2.gz HAUKKMQRXRDIBS-SNVBAGLBSA-N 1 0 267.398 1.943 20 70 CDIDRO Cc1nc2c(s1)[C@@H]([NH2+]CC(=O)NC(C)C)CCC2 ZINC000160981203 364435463 /nfs/dbraw/zinc/43/54/63/364435463.db2.gz HAUKKMQRXRDIBS-JTQLQIEISA-N 1 0 267.398 1.943 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000161119879 364451109 /nfs/dbraw/zinc/45/11/09/364451109.db2.gz NYGMMYXNVHERRF-CYBMUJFWSA-N 1 0 273.340 1.546 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161313155 364476057 /nfs/dbraw/zinc/47/60/57/364476057.db2.gz MQYNBJCKVYFDKO-KGLIPLIRSA-N 1 0 283.393 1.021 20 70 CDIDRO C[N@@H+]1CCN(CCN2CCCC2=O)[C@H](c2ccccc2)C1 ZINC000161332461 364478714 /nfs/dbraw/zinc/47/87/14/364478714.db2.gz YEBPDJLUXLVYAJ-INIZCTEOSA-N 1 0 287.407 1.598 20 70 CDIDRO Cc1n[nH]c(C)c1C[NH2+]CCNC(=O)OC(C)(C)C ZINC000218184453 367261100 /nfs/dbraw/zinc/26/11/00/367261100.db2.gz CNGDRXBHXOJDLP-UHFFFAOYSA-N 1 0 268.361 1.641 20 70 CDIDRO Cc1noc([C@H]2COCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000160888168 376375149 /nfs/dbraw/zinc/37/51/49/376375149.db2.gz ZJHCJXGXAAQFKP-QWHCGFSZSA-N 1 0 280.372 1.236 20 70 CDIDRO CCCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160180614 377718476 /nfs/dbraw/zinc/71/84/76/377718476.db2.gz FQLAOVDAOZCLLM-ZDUSSCGKSA-N 1 0 274.430 1.677 20 70 CDIDRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC[NH+]1CCCCC1 ZINC000161166328 390953829 /nfs/dbraw/zinc/95/38/29/390953829.db2.gz SQJSRLQTMMWHGZ-KGLIPLIRSA-N 1 0 288.457 1.370 20 70 CDIDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)NC(=O)CO2)N(C)C1CC1 ZINC000217557004 392962191 /nfs/dbraw/zinc/96/21/91/392962191.db2.gz VZUMOLDCQRMHEB-NSHDSACASA-N 1 0 289.379 1.590 20 70 CDIDRO CN(Cc1nc(N)c2ccccc2n1)[C@H](C[NH3+])C1CC1 ZINC000160136932 139909081 /nfs/dbraw/zinc/90/90/81/139909081.db2.gz OOWRLNXBRZCWAI-CYBMUJFWSA-N 1 0 271.368 1.381 20 70 CDIDRO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217516289 140164051 /nfs/dbraw/zinc/16/40/51/140164051.db2.gz HOODSVNOAXMGBP-UONOGXRCSA-N 1 0 269.433 1.741 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(C)c2)[C@H](C[NH3+])C1 ZINC000161113060 286055810 /nfs/dbraw/zinc/05/58/10/286055810.db2.gz GYPGSZJEDPIPHC-KBPBESRZSA-N 1 0 262.353 1.573 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000159390581 274266521 /nfs/dbraw/zinc/26/65/21/274266521.db2.gz RNWGWMUFNNRTSW-YNEHKIRRSA-N 1 0 276.380 1.665 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000160842376 274809762 /nfs/dbraw/zinc/80/97/62/274809762.db2.gz POZJYQDKORJMPN-ZBFHGGJFSA-N 1 0 288.391 1.895 20 70 CDIDRO CCCOC(=O)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160338197 276018847 /nfs/dbraw/zinc/01/88/47/276018847.db2.gz BNKGYICVYYFKLP-STQMWFEESA-N 1 0 254.374 1.498 20 70 CDIDRO CC[C@H](CSC)[NH2+]C1CCS(=O)(=O)CC1 ZINC000217328023 287909396 /nfs/dbraw/zinc/90/93/96/287909396.db2.gz LUSWVVMCIWCNBZ-SECBINFHSA-N 1 0 251.417 1.295 20 70 CDIDRO O=C1CN(CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]2N1 ZINC000161409716 280263190 /nfs/dbraw/zinc/26/31/90/280263190.db2.gz QJHMTOSHAMPKJY-GJZGRUSLSA-N 1 0 279.428 1.605 20 70 CDIDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccn1 ZINC000159386999 292757828 /nfs/dbraw/zinc/75/78/28/292757828.db2.gz RVARKZDWXAYTTG-MNOVXSKESA-N 1 0 256.371 1.555 20 70 CDIDRO CCOC(=O)N[C@H](C(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000159465662 292759918 /nfs/dbraw/zinc/75/99/18/292759918.db2.gz YFYCHHSSTBZGQO-LBPRGKRZSA-N 1 0 299.415 1.535 20 70 CDIDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747966 292768020 /nfs/dbraw/zinc/76/80/20/292768020.db2.gz QAKMIYBPKRHCHK-SMDDNHRTSA-N 1 0 277.368 1.403 20 70 CDIDRO C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000160870965 298305372 /nfs/dbraw/zinc/30/53/72/298305372.db2.gz GRSKMYNWKJOSFP-YIYPIFLZSA-N 1 0 295.427 1.173 20 70 CDIDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)N(C)C1CC1 ZINC000218665263 329483783 /nfs/dbraw/zinc/48/37/83/329483783.db2.gz OFDFYTTUINRNJX-ZFWWWQNUSA-N 1 0 278.396 1.499 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COCCc2ccccc2)C1 ZINC000161272815 482872388 /nfs/dbraw/zinc/87/23/88/482872388.db2.gz SPTKLFHMSUBHAD-CABCVRRESA-N 1 0 276.380 1.632 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCOC[C@H]2CCCO2)CC1 ZINC000161233303 519645346 /nfs/dbraw/zinc/64/53/46/519645346.db2.gz YRVSYTUBWQBCLJ-UYSNPLJNSA-N 1 0 298.427 1.609 20 70 CDIDRO CC(C)NC(=O)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160963381 519708127 /nfs/dbraw/zinc/70/81/27/519708127.db2.gz HAGFMXOBHHYFTE-UHFFFAOYSA-N 1 0 275.396 1.770 20 70 CDIDRO CCCCO[C@@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160586622 520815810 /nfs/dbraw/zinc/81/58/10/520815810.db2.gz CVFQOENZLMQRMW-ZDUSSCGKSA-N 1 0 286.416 1.012 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160367048 522826206 /nfs/dbraw/zinc/82/62/06/522826206.db2.gz CFEVKQLNNQJJED-HUUCEWRRSA-N 1 0 295.427 1.681 20 70 CDIDRO C[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000161399719 524286812 /nfs/dbraw/zinc/28/68/12/524286812.db2.gz VAFKTWHKRVALFR-BBRMVZONSA-N 1 0 280.387 1.960 20 70 CDIDRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC(O)C1 ZINC000161473593 526537902 /nfs/dbraw/zinc/53/79/02/526537902.db2.gz HWMFWSGPLGXESM-ZDUSSCGKSA-N 1 0 292.354 1.241 20 70 CDIDRO O=C(CCc1ccsc1)NCC1CC[NH+](CCO)CC1 ZINC000160678789 526634423 /nfs/dbraw/zinc/63/44/23/526634423.db2.gz SRCWRQURMPGQBZ-UHFFFAOYSA-N 1 0 296.436 1.501 20 70 CDIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000159562567 361738358 /nfs/dbraw/zinc/73/83/58/361738358.db2.gz WLCTWUHNLXOBBX-CMPLNLGQSA-N 1 0 276.336 1.501 20 70 CDIDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOCC2CC2)C[C@H](C)O1 ZINC000159635369 361755367 /nfs/dbraw/zinc/75/53/67/361755367.db2.gz LYMGYAVNSXCRIW-UXLLHSPISA-N 1 0 296.455 1.987 20 70 CDIDRO C[C@@H](CNC(=O)CCc1ccccc1N)[NH+]1CCCC1 ZINC000161461879 342073049 /nfs/dbraw/zinc/07/30/49/342073049.db2.gz HOQVOJUFVFITJF-ZDUSSCGKSA-N 1 0 275.396 1.802 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000161114167 361874018 /nfs/dbraw/zinc/87/40/18/361874018.db2.gz JHYFEUCQQNLXOQ-MGPQQGTHSA-N 1 0 280.412 1.840 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCNC(=O)CC1CCCC1 ZINC000161206203 361919408 /nfs/dbraw/zinc/91/94/08/361919408.db2.gz FGFNRXBJRJTBNW-UHFFFAOYSA-N 1 0 297.443 1.564 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1 ZINC000161214343 361919416 /nfs/dbraw/zinc/91/94/16/361919416.db2.gz IXSNEHBKXCIOSD-CYBMUJFWSA-N 1 0 280.343 1.805 20 70 CDIDRO C[C@H](C[NH3+])CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216872735 342439426 /nfs/dbraw/zinc/43/94/26/342439426.db2.gz AUIAWESALDOVSQ-UIBFTYAWSA-N 1 0 265.401 1.705 20 70 CDIDRO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159957724 362381786 /nfs/dbraw/zinc/38/17/86/362381786.db2.gz INRRTHWIBRMHDO-LBPRGKRZSA-N 1 0 286.372 1.492 20 70 CDIDRO CC(=O)c1cccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160032072 362388453 /nfs/dbraw/zinc/38/84/53/362388453.db2.gz KGERMUJSLKSFBW-HNNXBMFYSA-N 1 0 289.379 1.497 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000161323244 529990475 /nfs/dbraw/zinc/99/04/75/529990475.db2.gz SEVWMIZRMDSSNO-AWEZNQCLSA-N 1 0 299.378 1.604 20 70 CDIDRO CO[C@]1(C[NH2+][C@H]2CCOC3(CCOCC3)C2)CCOC1 ZINC000160345107 362415755 /nfs/dbraw/zinc/41/57/55/362415755.db2.gz GQCSAPXFPFTEIN-ZFWWWQNUSA-N 1 0 285.384 1.110 20 70 CDIDRO COC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160666073 346190650 /nfs/dbraw/zinc/19/06/50/346190650.db2.gz HKTXQJANJGODLL-LSDHHAIUSA-N 1 0 295.427 1.539 20 70 CDIDRO Cc1nn(C)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161186770 366015565 /nfs/dbraw/zinc/01/55/65/366015565.db2.gz VTAVTLGXFNUJSK-OKILXGFUSA-N 1 0 294.443 1.708 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC000160501996 188476605 /nfs/dbraw/zinc/47/66/05/188476605.db2.gz DKEQQOXLDYLLMO-SECBINFHSA-N 1 0 271.748 1.389 20 70 CDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CC2CCOCC2)C1 ZINC000159777369 363298278 /nfs/dbraw/zinc/29/82/78/363298278.db2.gz CAGFALLHUSOQMQ-OAHLLOKOSA-N 1 0 297.443 1.786 20 70 CDIDRO CC(C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000159845876 363377985 /nfs/dbraw/zinc/37/79/85/363377985.db2.gz KWVOFVFTAMFQPU-KGLIPLIRSA-N 1 0 284.448 1.356 20 70 CDIDRO [NH3+]CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160936755 356685704 /nfs/dbraw/zinc/68/57/04/356685704.db2.gz HZBNLTFLZXVHFW-UHFFFAOYSA-N 1 0 280.715 1.355 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)c1cccnc1F ZINC000217830647 359028624 /nfs/dbraw/zinc/02/86/24/359028624.db2.gz PXTWVEMINCXUFO-UHFFFAOYSA-N 1 0 253.321 1.682 20 70 CDIDRO CO[C@@H](C)c1nc(C)c(C(=O)NCCC[NH3+])s1 ZINC000160110758 237166369 /nfs/dbraw/zinc/16/63/69/237166369.db2.gz XKXZMQXTCHENSE-QMMMGPOBSA-N 1 0 257.359 1.238 20 70 CDIDRO COC1(C(=O)NC[C@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000161095240 360668145 /nfs/dbraw/zinc/66/81/45/360668145.db2.gz OUYORRCHXXWGOK-GFCCVEGCSA-N 1 0 296.436 1.812 20 70 CDIDRO CCCCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159476773 361710760 /nfs/dbraw/zinc/71/07/60/361710760.db2.gz KOOVXOZKSJKLJM-UPJWGTAASA-N 1 0 254.374 1.545 20 70 CDIDRO CC[NH+]1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000160339225 363823522 /nfs/dbraw/zinc/82/35/22/363823522.db2.gz LBUVAEUAUDYKJR-LBPRGKRZSA-N 1 0 268.401 1.650 20 70 CDIDRO O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCC[NH2+]C1 ZINC000159502109 364221693 /nfs/dbraw/zinc/22/16/93/364221693.db2.gz RMIANIZHNMRQFB-NSHDSACASA-N 1 0 271.324 1.410 20 70 CDIDRO COCc1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159727233 364256888 /nfs/dbraw/zinc/25/68/88/364256888.db2.gz CFCKBRRKRADAKU-UHFFFAOYSA-N 1 0 266.341 1.513 20 70 CDIDRO Cc1cc(CC(=O)NCC2([NH3+])CCCCC2)n[nH]1 ZINC000159769158 364262379 /nfs/dbraw/zinc/26/23/79/364262379.db2.gz PRZVZXWOQCUSBU-UHFFFAOYSA-N 1 0 250.346 1.038 20 70 CDIDRO CC(=O)c1ccc(NC(=O)[C@H](C)N(C)C[C@H](C)O)cc1 ZINC000159511355 364224087 /nfs/dbraw/zinc/22/40/87/364224087.db2.gz RXJLFCQMEGIMEE-QWRGUYRKSA-N 1 0 278.352 1.529 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CCOc2ccccc2Cl)C1 ZINC000160225825 364321214 /nfs/dbraw/zinc/32/12/14/364321214.db2.gz CIKIKTINLPOSLD-SNVBAGLBSA-N 1 0 268.744 1.669 20 70 CDIDRO Cn1cc(N2CCC[C@@H]([N@H+](C)CC(C)(C)C)C2=O)cn1 ZINC000160316206 364335063 /nfs/dbraw/zinc/33/50/63/364335063.db2.gz KKVIMIUVBBSEIB-CYBMUJFWSA-N 1 0 278.400 1.893 20 70 CDIDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cnn1C(C)(C)C ZINC000159933038 364283681 /nfs/dbraw/zinc/28/36/81/364283681.db2.gz LGYSIVLHENEXNI-UHFFFAOYSA-N 1 0 252.362 1.414 20 70 CDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160153691 364312821 /nfs/dbraw/zinc/31/28/21/364312821.db2.gz AXSITEBTOZGANB-CQSZACIVSA-N 1 0 289.379 1.004 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cc(OC)ccc2OC)C1 ZINC000160473461 364356474 /nfs/dbraw/zinc/35/64/74/364356474.db2.gz XQICZFGOXHHPSF-CYBMUJFWSA-N 1 0 292.379 1.457 20 70 CDIDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)O ZINC000160653324 364390849 /nfs/dbraw/zinc/39/08/49/364390849.db2.gz ZKFAGTRTYIVIHH-NSHDSACASA-N 1 0 280.368 1.773 20 70 CDIDRO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Oc1ccccc1F ZINC000161160156 364456106 /nfs/dbraw/zinc/45/61/06/364456106.db2.gz CLSUXTLHBYARBU-XHDPSFHLSA-N 1 0 280.343 1.709 20 70 CDIDRO CC(C)c1cnc(NC(=O)[C@@H]2C[NH2+]CCO2)s1 ZINC000160896141 364424097 /nfs/dbraw/zinc/42/40/97/364424097.db2.gz MVQMGVGQKAZOHC-QMMMGPOBSA-N 1 0 255.343 1.193 20 70 CDIDRO CCN(CC[NH2+]C[C@H](O)COc1ccccc1C)C1CC1 ZINC000218342251 373746382 /nfs/dbraw/zinc/74/63/82/373746382.db2.gz ICNOKYDWKYOZNO-INIZCTEOSA-N 1 0 292.423 1.809 20 70 CDIDRO CCCC(=O)N[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160817889 377119840 /nfs/dbraw/zinc/11/98/40/377119840.db2.gz MXQMNDABINHDPR-GXTWGEPZSA-N 1 0 256.390 1.528 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)COc1c(C)nn(C)c1C ZINC000160524802 377085268 /nfs/dbraw/zinc/08/52/68/377085268.db2.gz USUTWBMBPBWWPI-UHFFFAOYSA-N 1 0 282.388 1.049 20 70 CDIDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000161407780 377618217 /nfs/dbraw/zinc/61/82/17/377618217.db2.gz XWGQKLSKZRRCTA-CQSZACIVSA-N 1 0 290.411 1.246 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000160741965 532970942 /nfs/dbraw/zinc/97/09/42/532970942.db2.gz PEOCXKIKFDKHSZ-LLVKDONJSA-N 1 0 288.351 1.780 20 70 CDIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494439 285200345 /nfs/dbraw/zinc/20/03/45/285200345.db2.gz PMDDMOJYEIZCQL-UYSNPLJNSA-N 1 0 281.444 1.898 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000161436799 390658039 /nfs/dbraw/zinc/65/80/39/390658039.db2.gz VZDROBBRJZEHLE-UHFFFAOYSA-N 1 0 277.368 1.700 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000159927611 139908747 /nfs/dbraw/zinc/90/87/47/139908747.db2.gz DYIXMUWICSMKFC-CYBMUJFWSA-N 1 0 282.409 1.661 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000161114625 286271000 /nfs/dbraw/zinc/27/10/00/286271000.db2.gz CNYITJCEMWUEMP-UPJWGTAASA-N 1 0 268.401 1.824 20 70 CDIDRO CCOCCC1(C(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000160691277 261222610 /nfs/dbraw/zinc/22/26/10/261222610.db2.gz UTHVGBDGOJFUOK-UHFFFAOYSA-N 1 0 268.401 1.794 20 70 CDIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000161163393 264272818 /nfs/dbraw/zinc/27/28/18/264272818.db2.gz JETUJICRVXNHHM-NEPJUHHUSA-N 1 0 280.343 1.851 20 70 CDIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159519811 274313658 /nfs/dbraw/zinc/31/36/58/274313658.db2.gz MBOLGCBFRPBJCI-HIFRSBDPSA-N 1 0 298.390 1.958 20 70 CDIDRO C[C@@H]1Cc2ccccc2N1C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160155767 279018323 /nfs/dbraw/zinc/01/83/23/279018323.db2.gz GRAGITPCWQOHKL-WBMJQRKESA-N 1 0 287.407 1.633 20 70 CDIDRO CC1(C)[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]2CCO[C@@H]21 ZINC000161107390 281442525 /nfs/dbraw/zinc/44/25/25/281442525.db2.gz YCGCHJDKRMBYPP-IHRRRGAJSA-N 1 0 274.364 1.689 20 70 CDIDRO COC(C)(C)C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000160052420 292776384 /nfs/dbraw/zinc/77/63/84/292776384.db2.gz HEQRVKNDWQACHD-UHFFFAOYSA-N 1 0 260.378 1.916 20 70 CDIDRO Cc1cccc(OC[C@@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000160138494 292778556 /nfs/dbraw/zinc/77/85/56/292778556.db2.gz ZKQYGYFTJCSVIU-HNNXBMFYSA-N 1 0 293.407 1.877 20 70 CDIDRO CC[NH+](CC)CCNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000160817295 292794851 /nfs/dbraw/zinc/79/48/51/292794851.db2.gz PQDUAQFARIJMKQ-UHFFFAOYSA-N 1 0 299.396 1.998 20 70 CDIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ncccc2F)C1 ZINC000160912186 292795962 /nfs/dbraw/zinc/79/59/62/292795962.db2.gz BTBJNURYKVRKQX-RYUDHWBXSA-N 1 0 294.374 1.893 20 70 CDIDRO CCCn1nccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000159986443 482311974 /nfs/dbraw/zinc/31/19/74/482311974.db2.gz NFWMURQVGXVJPH-HNNXBMFYSA-N 1 0 281.400 1.968 20 70 CDIDRO Cc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)CO)c(C)c1 ZINC000160162143 482786363 /nfs/dbraw/zinc/78/63/63/482786363.db2.gz FOTLQLHOOYDROL-CQSZACIVSA-N 1 0 281.396 1.651 20 70 CDIDRO O=C(CCCOc1cccnc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160392809 534374231 /nfs/dbraw/zinc/37/42/31/534374231.db2.gz BFVQYTIHGUGFQC-OKILXGFUSA-N 1 0 289.379 1.594 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N(C)C)CC1 ZINC000161216666 519644407 /nfs/dbraw/zinc/64/44/07/519644407.db2.gz QBKPBILZJOQQSW-UHFFFAOYSA-N 1 0 255.406 1.364 20 70 CDIDRO C[NH2+]CCCN(C)Cc1cncc(Br)c1 ZINC000160781023 521993477 /nfs/dbraw/zinc/99/34/77/521993477.db2.gz JPBHPWLNTWWHSE-UHFFFAOYSA-N 1 0 272.190 1.885 20 70 CDIDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC(F)(F)F ZINC000160668490 523118069 /nfs/dbraw/zinc/11/80/69/523118069.db2.gz IEOZRJJIWLWSSN-MRVPVSSYSA-N 1 0 253.268 1.284 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCO1 ZINC000160843094 525388187 /nfs/dbraw/zinc/38/81/87/525388187.db2.gz IUOMYHDRTLHHKL-GJZGRUSLSA-N 1 0 276.380 1.878 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCCO ZINC000159577971 527965627 /nfs/dbraw/zinc/96/56/27/527965627.db2.gz IGXGLONGHCOEMF-LSDHHAIUSA-N 1 0 299.459 1.957 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CCOCC1)CC2 ZINC000160573769 282117569 /nfs/dbraw/zinc/11/75/69/282117569.db2.gz CMTJBOPRZDGDIZ-GWCFXTLKSA-N 1 0 264.373 1.306 20 70 CDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc2[nH]cnc21 ZINC000159461803 539114156 /nfs/dbraw/zinc/11/41/56/539114156.db2.gz UMBXNDWFXFYJNN-LBPRGKRZSA-N 1 0 284.363 1.777 20 70 CDIDRO COCC[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000160159208 539115462 /nfs/dbraw/zinc/11/54/62/539115462.db2.gz DDCPWWZOJZQISZ-OCCSQVGLSA-N 1 0 268.401 1.935 20 70 CDIDRO CC(C)[C@@H](C)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161325482 539117504 /nfs/dbraw/zinc/11/75/04/539117504.db2.gz VFAKDAJILRFXNB-CQSZACIVSA-N 1 0 290.411 1.364 20 70 CDIDRO CCOCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000160216742 362059183 /nfs/dbraw/zinc/05/91/83/362059183.db2.gz PJEVCZLFEUNWID-CQSZACIVSA-N 1 0 270.417 1.897 20 70 CDIDRO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ccc(F)cc1F ZINC000217217181 342439447 /nfs/dbraw/zinc/43/94/47/342439447.db2.gz IBAWIOYWJOMQBM-SNVBAGLBSA-N 1 0 268.307 1.718 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000161251815 362260199 /nfs/dbraw/zinc/26/01/99/362260199.db2.gz PHFJUWRCNKLDIB-VXGBXAGGSA-N 1 0 272.389 1.062 20 70 CDIDRO COc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159906511 362378579 /nfs/dbraw/zinc/37/85/79/362378579.db2.gz UCYGOAQQAHZXIC-ZDUSSCGKSA-N 1 0 263.341 1.896 20 70 CDIDRO COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985126 362385456 /nfs/dbraw/zinc/38/54/56/362385456.db2.gz DIPCHGOTTBCWBC-AAEUAGOBSA-N 1 0 292.379 1.983 20 70 CDIDRO CN(Cc1nc(-c2ccco2)no1)[C@H](C[NH3+])C1CC1 ZINC000159988317 362385726 /nfs/dbraw/zinc/38/57/26/362385726.db2.gz BGVNEYICTDQWNC-SNVBAGLBSA-N 1 0 262.313 1.499 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000160056239 362390763 /nfs/dbraw/zinc/39/07/63/362390763.db2.gz QDDLFBLEIRSAQV-HNNXBMFYSA-N 1 0 275.396 1.911 20 70 CDIDRO CN(Cc1noc(-c2ccccc2)n1)[C@H](C[NH3+])C1CC1 ZINC000160133953 362396489 /nfs/dbraw/zinc/39/64/89/362396489.db2.gz LQYZNOVFQZBKKY-CYBMUJFWSA-N 1 0 272.352 1.906 20 70 CDIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160621009 362457088 /nfs/dbraw/zinc/45/70/88/362457088.db2.gz WRQIMCRYCQCTPJ-VIFPVBQESA-N 1 0 290.289 1.066 20 70 CDIDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCNC(=O)C1CC1 ZINC000160693508 362471188 /nfs/dbraw/zinc/47/11/88/362471188.db2.gz CRAHQNABBNNVKF-NSHDSACASA-N 1 0 262.353 1.439 20 70 CDIDRO C[C@@H](CCO)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000160223012 345648517 /nfs/dbraw/zinc/64/85/17/345648517.db2.gz UOZBCFFOEGNVMZ-NWDGAFQWSA-N 1 0 273.421 1.423 20 70 CDIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C[NH2+]C)ccc2NC1=O ZINC000161371924 362801266 /nfs/dbraw/zinc/80/12/66/362801266.db2.gz LHHOCDBMIKJSCL-SKDRFNHKSA-N 1 0 291.351 1.193 20 70 CDIDRO CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159817910 188442807 /nfs/dbraw/zinc/44/28/07/188442807.db2.gz ODEAHPMQTHKSNB-ZFWWWQNUSA-N 1 0 276.380 1.742 20 70 CDIDRO C[C@@H](C[NH2+]Cc1cncc(Br)c1)N(C)C ZINC000160570367 188481018 /nfs/dbraw/zinc/48/10/18/188481018.db2.gz VNBFPEHWXUJJEV-VIFPVBQESA-N 1 0 272.190 1.884 20 70 CDIDRO COc1ccccc1CC[N@H+](C)CC1(O)CCOCC1 ZINC000159860700 363381868 /nfs/dbraw/zinc/38/18/68/363381868.db2.gz URUWBBUTYJQKMT-UHFFFAOYSA-N 1 0 279.380 1.711 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000160325727 357495275 /nfs/dbraw/zinc/49/52/75/357495275.db2.gz IMJPKGGRUFHMKZ-CYBMUJFWSA-N 1 0 291.370 1.989 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000161332909 237196969 /nfs/dbraw/zinc/19/69/69/237196969.db2.gz GLTWZDGTVSQPPA-LLVKDONJSA-N 1 0 278.356 1.384 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963638 360215353 /nfs/dbraw/zinc/21/53/53/360215353.db2.gz DDCMSENIYQJGKG-GJZGRUSLSA-N 1 0 294.395 1.751 20 70 CDIDRO C[C@H](CC(=O)N1CCN(C)C(=O)C1(C)C)C1CC[NH2+]CC1 ZINC000160870709 361456184 /nfs/dbraw/zinc/45/61/84/361456184.db2.gz ALSHXMDXNAPKBH-GFCCVEGCSA-N 1 0 295.427 1.091 20 70 CDIDRO C[NH+](C)Cc1ccc(C(=O)N2CCSCC2)cc1 ZINC000160387832 363846824 /nfs/dbraw/zinc/84/68/24/363846824.db2.gz AOQDNDPSTWZSIH-UHFFFAOYSA-N 1 0 264.394 1.937 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000161451676 482877682 /nfs/dbraw/zinc/87/76/82/482877682.db2.gz CDMSFELXAJRNMV-QWRGUYRKSA-N 1 0 264.373 1.543 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)cn1 ZINC000159469456 364213684 /nfs/dbraw/zinc/21/36/84/364213684.db2.gz YIIBDXUBGBYDOM-GFCCVEGCSA-N 1 0 264.373 1.566 20 70 CDIDRO COC1(C(=O)NC[C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159661047 364247970 /nfs/dbraw/zinc/24/79/70/364247970.db2.gz YOUQFUJGWSLXKM-CQSZACIVSA-N 1 0 290.407 1.983 20 70 CDIDRO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159820777 364270112 /nfs/dbraw/zinc/27/01/12/364270112.db2.gz DFTYISYAJRSNHG-CQSZACIVSA-N 1 0 288.351 1.257 20 70 CDIDRO CC[C@@H](C(=O)Nc1nc(-c2cnn(C)c2)cs1)[NH+](C)C ZINC000159542580 364230168 /nfs/dbraw/zinc/23/01/68/364230168.db2.gz UXKMRRZXYFRGBJ-NSHDSACASA-N 1 0 293.396 1.822 20 70 CDIDRO Cc1ccc(C(=O)CC[N@@H+](C)CC(C)(CO)CO)cc1 ZINC000160324910 364336544 /nfs/dbraw/zinc/33/65/44/364336544.db2.gz SCROVGAFMNTJST-UHFFFAOYSA-N 1 0 279.380 1.491 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000159954635 364284486 /nfs/dbraw/zinc/28/44/86/364284486.db2.gz XSMILOGFVOGVNB-AWEZNQCLSA-N 1 0 292.379 1.712 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161453321 364494747 /nfs/dbraw/zinc/49/47/47/364494747.db2.gz XHTBXJXVKPXPPS-OCCSQVGLSA-N 1 0 292.354 1.984 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000160053807 376999047 /nfs/dbraw/zinc/99/90/47/376999047.db2.gz RNBJHSVCCMPVHH-UHFFFAOYSA-N 1 0 283.416 1.091 20 70 CDIDRO Cc1cc(F)c(C(=O)N2CCC[C@H]2C[NH3+])cc1F ZINC000160152845 377515325 /nfs/dbraw/zinc/51/53/25/377515325.db2.gz GNGQUPCTQNLSIK-VIFPVBQESA-N 1 0 254.280 1.837 20 70 CDIDRO COC[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161270411 377533387 /nfs/dbraw/zinc/53/33/87/377533387.db2.gz VFZISIQCEPJWMT-WCBMZHEXSA-N 1 0 255.280 1.657 20 70 CDIDRO C[NH+](C)CC(=O)N1CCOC2(C1)CCCCCC2 ZINC000160475026 391061443 /nfs/dbraw/zinc/06/14/43/391061443.db2.gz RBVTYXKPUBNUDI-UHFFFAOYSA-N 1 0 254.374 1.500 20 70 CDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000160355080 391507846 /nfs/dbraw/zinc/50/78/46/391507846.db2.gz RCISVOYNUALGMK-WCQYABFASA-N 1 0 256.390 1.635 20 70 CDIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000160590516 391518071 /nfs/dbraw/zinc/51/80/71/391518071.db2.gz IOMWYQFQFQGYHX-DZGCQCFKSA-N 1 0 268.401 1.386 20 70 CDIDRO CCN(C)C(=O)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000217364834 392959414 /nfs/dbraw/zinc/95/94/14/392959414.db2.gz UNGNLBZORDIQLT-CQSZACIVSA-N 1 0 262.353 1.838 20 70 CDIDRO O=C(N[C@@H]1CCSc2ccccc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217739035 392966433 /nfs/dbraw/zinc/96/64/33/392966433.db2.gz ZSZXHLQHZWSGMV-YUSALJHKSA-N 1 0 278.377 1.063 20 70 CDIDRO CN(C(=O)c1cnn(-c2ccccc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000159885511 139906417 /nfs/dbraw/zinc/90/64/17/139906417.db2.gz PUTCQNLVFMREER-AWEZNQCLSA-N 1 0 285.351 1.077 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000218064246 140165039 /nfs/dbraw/zinc/16/50/39/140165039.db2.gz YVXACDRZDYHTOA-LBPRGKRZSA-N 1 0 263.385 1.658 20 70 CDIDRO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000217229460 413459136 /nfs/dbraw/zinc/45/91/36/413459136.db2.gz NMTLEZHGOPOLDE-SECBINFHSA-N 1 0 268.744 1.783 20 70 CDIDRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160200641 287120756 /nfs/dbraw/zinc/12/07/56/287120756.db2.gz YDXIZHFPMGTGCR-PWSUYJOCSA-N 1 0 266.316 1.543 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000161354622 277285170 /nfs/dbraw/zinc/28/51/70/277285170.db2.gz XURRHQXDWRFESK-OAHLLOKOSA-N 1 0 284.363 1.696 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000159974762 277307865 /nfs/dbraw/zinc/30/78/65/277307865.db2.gz NBYDQBVLAXNSQZ-LLVKDONJSA-N 1 0 293.367 1.128 20 70 CDIDRO C[C@H]1Sc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2NC1=O ZINC000160222434 280091972 /nfs/dbraw/zinc/09/19/72/280091972.db2.gz TWHSEDNEYRFMQO-PSASIEDQSA-N 1 0 291.376 1.293 20 70 CDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ncccc1F ZINC000159615299 292763145 /nfs/dbraw/zinc/76/31/45/292763145.db2.gz AIIJYIPXIHXSIM-GFCCVEGCSA-N 1 0 294.374 1.894 20 70 CDIDRO CC(C)c1c(C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000160300586 292782860 /nfs/dbraw/zinc/78/28/60/292782860.db2.gz GISBJZQTHZTLAP-GFCCVEGCSA-N 1 0 299.378 1.564 20 70 CDIDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCC[NH+]1CCCCC1 ZINC000161358673 290196988 /nfs/dbraw/zinc/19/69/88/290196988.db2.gz VXNVRDRDTQEUJC-ZIAGYGMSSA-N 1 0 290.473 1.616 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000161028279 292798562 /nfs/dbraw/zinc/79/85/62/292798562.db2.gz QFCDYMNOOQCGNV-HOAMVYINSA-N 1 0 254.374 1.327 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000160770493 482822965 /nfs/dbraw/zinc/82/29/65/482822965.db2.gz OGALLQPRPNICSS-VXGBXAGGSA-N 1 0 285.351 1.267 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160783453 482825098 /nfs/dbraw/zinc/82/50/98/482825098.db2.gz ZDSYEEAAWIMQAB-QWRGUYRKSA-N 1 0 279.384 1.728 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000161127314 482863412 /nfs/dbraw/zinc/86/34/12/482863412.db2.gz GVQOZBHQUWIXED-SWLSCSKDSA-N 1 0 294.395 1.952 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000161471391 482880062 /nfs/dbraw/zinc/88/00/62/482880062.db2.gz DFXIZTATXJJQJI-KGLIPLIRSA-N 1 0 284.363 1.872 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000160400809 519848850 /nfs/dbraw/zinc/84/88/50/519848850.db2.gz PAMIGOGYVBTNJH-AWEZNQCLSA-N 1 0 268.401 1.890 20 70 CDIDRO CC1CC[NH+](C2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000160962045 520995347 /nfs/dbraw/zinc/99/53/47/520995347.db2.gz PYNRTDKYFRJMFZ-UHFFFAOYSA-N 1 0 274.430 1.579 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)N1CCC2(CCC2)C1 ZINC000160773446 523577253 /nfs/dbraw/zinc/57/72/53/523577253.db2.gz AMHREUJSNARHGL-UHFFFAOYSA-N 1 0 283.416 1.540 20 70 CDIDRO CNC(=O)[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160566668 524100321 /nfs/dbraw/zinc/10/03/21/524100321.db2.gz YRIQEOSKNSCDLR-ZETCQYMHSA-N 1 0 272.146 1.068 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cnn(CC(F)(F)F)c1 ZINC000159701738 361800878 /nfs/dbraw/zinc/80/08/78/361800878.db2.gz UMBORKSYTZOZJE-MRVPVSSYSA-N 1 0 276.262 1.526 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@]1(F)CC[NH2+]C1 ZINC000159703045 361810258 /nfs/dbraw/zinc/81/02/58/361810258.db2.gz JVTIPEGAOXMMQZ-SECBINFHSA-N 1 0 280.225 1.086 20 70 CDIDRO COc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159992907 342072907 /nfs/dbraw/zinc/07/29/07/342072907.db2.gz DRJGRJXKAXCTBZ-CMPLNLGQSA-N 1 0 278.352 1.736 20 70 CDIDRO COc1ccnc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160519493 539116014 /nfs/dbraw/zinc/11/60/14/539116014.db2.gz CJIXPOHJMLGLJF-CYBMUJFWSA-N 1 0 291.395 1.940 20 70 CDIDRO CCc1nnc(CNC(C)(C)C(=O)NCC2CCCC2)[nH]1 ZINC000160206780 362055055 /nfs/dbraw/zinc/05/50/55/362055055.db2.gz OVLYYMNYAZZCBC-UHFFFAOYSA-N 1 0 293.415 1.542 20 70 CDIDRO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159730339 342368432 /nfs/dbraw/zinc/36/84/32/342368432.db2.gz UWGVCDKTCRKRJJ-GJZGRUSLSA-N 1 0 290.411 1.643 20 70 CDIDRO CC(C)C[C@H]1COCCN1C(=O)CC[NH2+]C(C)C ZINC000159630133 342367619 /nfs/dbraw/zinc/36/76/19/342367619.db2.gz JHUMPSUBXUYTPL-ZDUSSCGKSA-N 1 0 256.390 1.648 20 70 CDIDRO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159645848 342367817 /nfs/dbraw/zinc/36/78/17/342367817.db2.gz QKNKFCRBGGIVLK-RYUDHWBXSA-N 1 0 267.373 1.487 20 70 CDIDRO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccc(F)cc1F ZINC000217217186 342439439 /nfs/dbraw/zinc/43/94/39/342439439.db2.gz IBAWIOYWJOMQBM-JTQLQIEISA-N 1 0 268.307 1.718 20 70 CDIDRO CN(CC(=O)NCc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000160047264 362389744 /nfs/dbraw/zinc/38/97/44/362389744.db2.gz PKPZNTKWYUSHQE-CQSZACIVSA-N 1 0 295.814 1.625 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1 ZINC000161297191 362433521 /nfs/dbraw/zinc/43/35/21/362433521.db2.gz AZTLKERZVRBECE-AWEZNQCLSA-N 1 0 292.354 1.999 20 70 CDIDRO CC[NH2+]CCNCc1ccc(Br)cn1 ZINC000161299238 362435428 /nfs/dbraw/zinc/43/54/28/362435428.db2.gz IQMNYNZYSXIOMT-UHFFFAOYSA-N 1 0 258.163 1.543 20 70 CDIDRO CCn1nc(C[NH2+]C[C@@]2(OC)CCOC2)c2ccccc21 ZINC000160326202 362413304 /nfs/dbraw/zinc/41/33/04/362413304.db2.gz MEDKHXMDIAPRHU-INIZCTEOSA-N 1 0 289.379 1.951 20 70 CDIDRO O[C@H](C[NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000160576613 362448295 /nfs/dbraw/zinc/44/82/95/362448295.db2.gz KUJVCVMIKABFRX-LLVKDONJSA-N 1 0 271.158 1.705 20 70 CDIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CCO ZINC000159461169 345062914 /nfs/dbraw/zinc/06/29/14/345062914.db2.gz OHLKZZAQMHMABG-KBPBESRZSA-N 1 0 285.432 1.711 20 70 CDIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)CCO ZINC000160440938 346137274 /nfs/dbraw/zinc/13/72/74/346137274.db2.gz GUOMNSCZIPUMQR-STQMWFEESA-N 1 0 271.405 1.321 20 70 CDIDRO COCC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160643758 346187467 /nfs/dbraw/zinc/18/74/67/346187467.db2.gz LGJMWELQXPWHFI-HNNXBMFYSA-N 1 0 295.427 1.539 20 70 CDIDRO CCN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160725436 346250790 /nfs/dbraw/zinc/25/07/90/346250790.db2.gz BQIZZLXIKCXFQR-CQSZACIVSA-N 1 0 265.401 1.912 20 70 CDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC000159573986 362928032 /nfs/dbraw/zinc/92/80/32/362928032.db2.gz AIFMWHDDWNXXDG-ZDUSSCGKSA-N 1 0 268.401 1.794 20 70 CDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(F)n2)C[C@H](C)O1 ZINC000159538664 188431183 /nfs/dbraw/zinc/43/11/83/188431183.db2.gz ICQGOBOPMCOTFE-TXEJJXNPSA-N 1 0 295.358 1.450 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1c(F)cccc1F ZINC000160201482 188459554 /nfs/dbraw/zinc/45/95/54/188459554.db2.gz AKTNUSGHKAPJOE-FGEFZZPRSA-N 1 0 266.291 1.928 20 70 CDIDRO Cc1nn(-c2ccccc2)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160272509 188463219 /nfs/dbraw/zinc/46/32/19/188463219.db2.gz HGXPHSXTTFBARA-GFCCVEGCSA-N 1 0 270.336 1.354 20 70 CDIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160641647 188484276 /nfs/dbraw/zinc/48/42/76/188484276.db2.gz OKFXYOSKCXODBI-LLVKDONJSA-N 1 0 280.368 1.773 20 70 CDIDRO [NH3+]CCCC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161194966 188513650 /nfs/dbraw/zinc/51/36/50/188513650.db2.gz YLZSSNINCKUPFT-UHFFFAOYSA-N 1 0 250.224 1.123 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)C[NH2+]CC2CC2)c1 ZINC000161130657 188510415 /nfs/dbraw/zinc/51/04/15/188510415.db2.gz RBDBMITWCCFJSI-GFCCVEGCSA-N 1 0 292.379 1.578 20 70 CDIDRO COCC[N@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159848389 363377428 /nfs/dbraw/zinc/37/74/28/363377428.db2.gz UVPNPNNJOVEZOG-UHFFFAOYSA-N 1 0 270.417 1.897 20 70 CDIDRO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000159997451 482775871 /nfs/dbraw/zinc/77/58/71/482775871.db2.gz WJWLQDHZGKXHMP-OASPWFOLSA-N 1 0 282.771 1.894 20 70 CDIDRO CCCCOCCCNC(=O)c1csc(CC[NH3+])n1 ZINC000160297030 361340457 /nfs/dbraw/zinc/34/04/57/361340457.db2.gz KYLUBYXQNSZGRA-UHFFFAOYSA-N 1 0 285.413 1.581 20 70 CDIDRO O=C(CNC(=O)CC1CCCC1)NCC[NH+]1CCCCC1 ZINC000160246632 363792975 /nfs/dbraw/zinc/79/29/75/363792975.db2.gz QATNTCPMNMHTNC-UHFFFAOYSA-N 1 0 295.427 1.285 20 70 CDIDRO CC[C@H](OC1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000159408476 361689636 /nfs/dbraw/zinc/68/96/36/361689636.db2.gz NDEDQRSWTKMBCM-ZDUSSCGKSA-N 1 0 254.374 1.546 20 70 CDIDRO CCSCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159420624 361692860 /nfs/dbraw/zinc/69/28/60/361692860.db2.gz ZTBOUDPLHQTJMG-ZDUSSCGKSA-N 1 0 285.457 1.154 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000159547887 364231682 /nfs/dbraw/zinc/23/16/82/364231682.db2.gz AUSQFNANKASJQV-ZDUSSCGKSA-N 1 0 276.384 1.880 20 70 CDIDRO CC1CC[NH+](CCNC(=O)[C@H](O)c2ccccc2)CC1 ZINC000159519277 364226297 /nfs/dbraw/zinc/22/62/97/364226297.db2.gz QPHYSUOOAUUNBU-OAHLLOKOSA-N 1 0 276.380 1.568 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000159526244 364228807 /nfs/dbraw/zinc/22/88/07/364228807.db2.gz MIXBIZLCSSYASQ-MNOVXSKESA-N 1 0 270.398 1.108 20 70 CDIDRO COc1ccc(CCCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159932252 364283036 /nfs/dbraw/zinc/28/30/36/364283036.db2.gz OLXUMTGTKXESGL-UHFFFAOYSA-N 1 0 264.369 1.871 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CSCC(=O)c1ccccc1 ZINC000159967822 364287885 /nfs/dbraw/zinc/28/78/85/364287885.db2.gz CVFXKLGRZRACQV-UHFFFAOYSA-N 1 0 280.393 1.456 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000160008680 364293849 /nfs/dbraw/zinc/29/38/49/364293849.db2.gz QOFYFUAGGMEQFE-UHFFFAOYSA-N 1 0 272.352 1.399 20 70 CDIDRO CC(C)([NH3+])CNC(=O)Cc1ccccc1OC(F)F ZINC000160018992 364295630 /nfs/dbraw/zinc/29/56/30/364295630.db2.gz KWYXPJWIUSKDLP-UHFFFAOYSA-N 1 0 272.295 1.684 20 70 CDIDRO Cc1nc(Cl)ccc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000160104425 364306916 /nfs/dbraw/zinc/30/69/16/364306916.db2.gz NJFBOMLXHBLETH-SNVBAGLBSA-N 1 0 267.760 1.725 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)c[nH]1 ZINC000160449557 364354121 /nfs/dbraw/zinc/35/41/21/364354121.db2.gz ZOQNDHZESLRKTL-LLVKDONJSA-N 1 0 285.775 1.245 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cscn1 ZINC000160451128 364354578 /nfs/dbraw/zinc/35/45/78/364354578.db2.gz FJBJAOIRMSYJIK-LLVKDONJSA-N 1 0 267.398 1.993 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000160479313 364358326 /nfs/dbraw/zinc/35/83/26/364358326.db2.gz GZBWZTYOSXJSHT-LLVKDONJSA-N 1 0 264.373 1.380 20 70 CDIDRO CC1(C)C[C@H]([NH2+]Cc2cnc3cnccn23)CCO1 ZINC000160486700 364361775 /nfs/dbraw/zinc/36/17/75/364361775.db2.gz JGYBLKWWUUNOBJ-LLVKDONJSA-N 1 0 260.341 1.777 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000160572218 364375824 /nfs/dbraw/zinc/37/58/24/364375824.db2.gz WFWZXROQBPDNBA-JTQLQIEISA-N 1 0 289.310 1.101 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cnn1C ZINC000160668186 364392719 /nfs/dbraw/zinc/39/27/19/364392719.db2.gz IIZYOYPNAKQDBX-YIALFULDSA-N 1 0 288.395 1.342 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)C1 ZINC000160756054 364405356 /nfs/dbraw/zinc/40/53/56/364405356.db2.gz NVCSHSCXGVHMAE-SNVBAGLBSA-N 1 0 286.326 1.258 20 70 CDIDRO COC(=O)N(C)Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000160951368 364432627 /nfs/dbraw/zinc/43/26/27/364432627.db2.gz AUBFHVUJAYXRRN-ZDUSSCGKSA-N 1 0 293.367 1.807 20 70 CDIDRO Cc1c(/C=C/C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cnn1C ZINC000161175868 364459754 /nfs/dbraw/zinc/45/97/54/364459754.db2.gz IWDASIIIDYSVFK-KIUWMYQTSA-N 1 0 292.427 1.834 20 70 CDIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161500070 375642977 /nfs/dbraw/zinc/64/29/77/375642977.db2.gz SOANYCCVZGRRFJ-UONOGXRCSA-N 1 0 290.388 1.468 20 70 CDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000160221558 377041622 /nfs/dbraw/zinc/04/16/22/377041622.db2.gz OSAQCAUXNFOBTQ-MWODSPESSA-N 1 0 267.373 1.712 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000160123339 377048727 /nfs/dbraw/zinc/04/87/27/377048727.db2.gz GWILBCNVXAOFOW-LLVKDONJSA-N 1 0 283.416 1.125 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000160323036 377056962 /nfs/dbraw/zinc/05/69/62/377056962.db2.gz PFZPUAYVEFFNRH-JTQLQIEISA-N 1 0 288.376 1.768 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000161210992 377481095 /nfs/dbraw/zinc/48/10/95/377481095.db2.gz QUWSKSBMSUOOAK-AWEZNQCLSA-N 1 0 278.396 1.471 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)COc2ccccc2)C1 ZINC000160617331 532967417 /nfs/dbraw/zinc/96/74/17/532967417.db2.gz XOGWEMAAIYRXKV-QWHCGFSZSA-N 1 0 262.353 1.522 20 70 CDIDRO CN(C(=O)[C@H]1OCCc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159777103 392491226 /nfs/dbraw/zinc/49/12/26/392491226.db2.gz RVDMZENOUPSMRY-GJZGRUSLSA-N 1 0 274.364 1.496 20 70 CDIDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C)cc1 ZINC000216734686 140163943 /nfs/dbraw/zinc/16/39/43/140163943.db2.gz HWSWTMBXYYVXGO-GFCCVEGCSA-N 1 0 268.382 1.320 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)CC2 ZINC000160405937 279141437 /nfs/dbraw/zinc/14/14/37/279141437.db2.gz RFBPGUBUTABSFS-MFKMUULPSA-N 1 0 286.383 1.659 20 70 CDIDRO CC(C)[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)[NH+](C)C ZINC000159432487 279775516 /nfs/dbraw/zinc/77/55/16/279775516.db2.gz DPNZWRJEYXJJBR-GXTWGEPZSA-N 1 0 254.374 1.212 20 70 CDIDRO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217773001 280089228 /nfs/dbraw/zinc/08/92/28/280089228.db2.gz YPAUFEZWKFZQEP-MAZHCROVSA-N 1 0 290.407 1.785 20 70 CDIDRO CS(=O)(=O)NCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218086202 280090262 /nfs/dbraw/zinc/09/02/62/280090262.db2.gz WHJWWEOFDRFOET-UHFFFAOYSA-N 1 0 281.381 1.197 20 70 CDIDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000160634037 292791671 /nfs/dbraw/zinc/79/16/71/292791671.db2.gz XSWCZMMAHRQHQQ-LLVKDONJSA-N 1 0 280.368 1.773 20 70 CDIDRO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000161075789 292799211 /nfs/dbraw/zinc/79/92/11/292799211.db2.gz ZENHGCSSHGFPGC-NEPJUHHUSA-N 1 0 299.415 1.452 20 70 CDIDRO CO[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159789863 294173079 /nfs/dbraw/zinc/17/30/79/294173079.db2.gz VDSPSCMYTHTRFS-KGLIPLIRSA-N 1 0 262.353 1.570 20 70 CDIDRO CCOC[C@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159365862 482659486 /nfs/dbraw/zinc/65/94/86/482659486.db2.gz FBZUQJIBQQJSSV-OAHLLOKOSA-N 1 0 274.364 1.764 20 70 CDIDRO CCCn1nccc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000159974788 482774135 /nfs/dbraw/zinc/77/41/35/482774135.db2.gz QZCVGWZGHQBBND-UHFFFAOYSA-N 1 0 280.416 1.494 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000161185475 482867474 /nfs/dbraw/zinc/86/74/74/482867474.db2.gz IDYNJMNVAZWLJM-QWRGUYRKSA-N 1 0 285.347 1.940 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000161110040 519914371 /nfs/dbraw/zinc/91/43/71/519914371.db2.gz RHAMIOBHZLMHJS-MCIONIFRSA-N 1 0 266.385 1.402 20 70 CDIDRO CO[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000161099620 523666336 /nfs/dbraw/zinc/66/63/36/523666336.db2.gz NCKDPUCCTPKACK-GHMZBOCLSA-N 1 0 268.401 1.633 20 70 CDIDRO C[C@H](CO)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161017793 524539513 /nfs/dbraw/zinc/53/95/13/524539513.db2.gz JIBMSTHCEGTUPH-GFCCVEGCSA-N 1 0 270.417 1.584 20 70 CDIDRO CC(C)(C(N)=O)c1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000160381379 527542351 /nfs/dbraw/zinc/54/23/51/527542351.db2.gz BJGLIDRRGCUHRY-UHFFFAOYSA-N 1 0 289.379 1.388 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159889993 342072876 /nfs/dbraw/zinc/07/28/76/342072876.db2.gz ZRNWRHOPYUQRSC-QWHCGFSZSA-N 1 0 260.337 1.358 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000161064182 361825675 /nfs/dbraw/zinc/82/56/75/361825675.db2.gz SVCJXSFMMLZNAK-HNNXBMFYSA-N 1 0 295.427 1.221 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)N1CCCCCC1 ZINC000161203189 361919139 /nfs/dbraw/zinc/91/91/39/361919139.db2.gz PTCZTVHNYOMHID-UHFFFAOYSA-N 1 0 297.443 1.660 20 70 CDIDRO COCC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161133145 539117252 /nfs/dbraw/zinc/11/72/52/539117252.db2.gz RDUSFLHBMBQBIM-UHFFFAOYSA-N 1 0 299.436 1.960 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CCO1 ZINC000160842985 362183300 /nfs/dbraw/zinc/18/33/00/362183300.db2.gz IUOMYHDRTLHHKL-HUUCEWRRSA-N 1 0 276.380 1.878 20 70 CDIDRO CCOc1cc2c(cc1NC(=O)[C@H]([NH3+])COC)O[C@@H](C)C2 ZINC000159424536 362321349 /nfs/dbraw/zinc/32/13/49/362321349.db2.gz QVHZLNPYSRKMBE-GXSJLCMTSA-N 1 0 294.351 1.321 20 70 CDIDRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cnn(C)c1 ZINC000159581917 362346061 /nfs/dbraw/zinc/34/60/61/362346061.db2.gz MTDINCLWNZYWFF-RISCZKNCSA-N 1 0 272.352 1.167 20 70 CDIDRO Cc1ccccc1CN(C)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160072915 362392649 /nfs/dbraw/zinc/39/26/49/362392649.db2.gz CEZGKVVWEIZUEL-MRXNPFEDSA-N 1 0 289.423 1.623 20 70 CDIDRO Cc1nnc2c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)nccn12 ZINC000218058103 282343138 /nfs/dbraw/zinc/34/31/38/282343138.db2.gz NTTIWCHJXXWSGJ-ONGXEEELSA-N 1 0 260.345 1.327 20 70 CDIDRO CCc1ccc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)o1 ZINC000161122042 362681317 /nfs/dbraw/zinc/68/13/17/362681317.db2.gz COGVKNRSWRHQLP-CNBITHIKSA-N 1 0 290.363 1.397 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCC(C)CC1)C(=O)OC ZINC000159649740 363116781 /nfs/dbraw/zinc/11/67/81/363116781.db2.gz KMVBPMXMXKMBBH-UHFFFAOYSA-N 1 0 298.427 1.814 20 70 CDIDRO CC[NH+](CC)CCN(CCOC)c1ncc(Cl)cn1 ZINC000160428404 188471923 /nfs/dbraw/zinc/47/19/23/188471923.db2.gz HMKYHJRYTQHHIM-UHFFFAOYSA-N 1 0 286.807 1.925 20 70 CDIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000160846139 358774182 /nfs/dbraw/zinc/77/41/82/358774182.db2.gz ICNUODFFFCQLBM-JSGCOSHPSA-N 1 0 281.400 1.434 20 70 CDIDRO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CC[NH2+]CC1 ZINC000159363495 359019399 /nfs/dbraw/zinc/01/93/99/359019399.db2.gz ZTJAPDBUJLTXSN-UHFFFAOYSA-N 1 0 271.320 1.294 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000160127720 237168873 /nfs/dbraw/zinc/16/88/73/237168873.db2.gz SGHFBQHCEQPNHE-UHFFFAOYSA-N 1 0 265.332 1.505 20 70 CDIDRO Cc1nc2ccccn2c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000160118364 363675924 /nfs/dbraw/zinc/67/59/24/363675924.db2.gz RNIBBYRLXPZEIL-AWEZNQCLSA-N 1 0 288.395 1.405 20 70 CDIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000160971835 360462083 /nfs/dbraw/zinc/46/20/83/360462083.db2.gz LJHJEHQMWRZCBW-LSDHHAIUSA-N 1 0 290.407 1.886 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccccc2C)[C@H](C[NH3+])C1 ZINC000161086581 360846761 /nfs/dbraw/zinc/84/67/61/360846761.db2.gz XIJQOFGMBLAHOG-STQMWFEESA-N 1 0 262.353 1.573 20 70 CDIDRO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159427224 364204630 /nfs/dbraw/zinc/20/46/30/364204630.db2.gz XMYUVJJVABKBIQ-VXGBXAGGSA-N 1 0 280.368 1.725 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(C)on1)C(=O)OC ZINC000159665424 364249981 /nfs/dbraw/zinc/24/99/81/364249981.db2.gz WLWXHDGVJFDHMW-UHFFFAOYSA-N 1 0 297.355 1.491 20 70 CDIDRO Cc1cnc([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000159822565 364270157 /nfs/dbraw/zinc/27/01/57/364270157.db2.gz IXJHYNKHWFHMPO-ONGXEEELSA-N 1 0 267.398 1.765 20 70 CDIDRO C[C@H](O)CN(C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000159533556 364228465 /nfs/dbraw/zinc/22/84/65/364228465.db2.gz XFBLYHNKVONQJS-UWVGGRQHSA-N 1 0 262.313 1.505 20 70 CDIDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(N)=O ZINC000159543259 364230884 /nfs/dbraw/zinc/23/08/84/364230884.db2.gz FSWJZNOKTXURGM-AWEZNQCLSA-N 1 0 286.379 1.862 20 70 CDIDRO CC[C@@H](C(=O)NC[C@H](O)C1CCCCC1)[NH+](C)C ZINC000160242015 364324359 /nfs/dbraw/zinc/32/43/59/364324359.db2.gz LNDVCNDVELSKAV-STQMWFEESA-N 1 0 256.390 1.384 20 70 CDIDRO COc1ccc(OC)c(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160261124 364326428 /nfs/dbraw/zinc/32/64/28/364326428.db2.gz KNAXNCWWOGALLJ-MJRJWQSSSA-N 1 0 276.336 1.277 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000160037606 364297126 /nfs/dbraw/zinc/29/71/26/364297126.db2.gz DFEYXKPMGWGYQU-UHFFFAOYSA-N 1 0 291.273 1.490 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@H]2CCC[NH2+]2)o1 ZINC000160637647 364385991 /nfs/dbraw/zinc/38/59/91/364385991.db2.gz PVIOVFYSOZXEGA-SECBINFHSA-N 1 0 251.330 1.340 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCC[NH2+]C1 ZINC000160418609 364349169 /nfs/dbraw/zinc/34/91/69/364349169.db2.gz JIKDDSPKSGXUMU-NSHDSACASA-N 1 0 273.336 1.509 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccccc1=O ZINC000160417959 364349204 /nfs/dbraw/zinc/34/92/04/364349204.db2.gz SGWPJJPZLAXMAO-CQSZACIVSA-N 1 0 291.395 1.085 20 70 CDIDRO C[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1)N(C)C1CC1 ZINC000218645871 373787686 /nfs/dbraw/zinc/78/76/86/373787686.db2.gz FBHNXMUFLOAGDZ-RHSMWYFYSA-N 1 0 292.423 1.636 20 70 CDIDRO COCC[NH2+]CC(=O)N1CCCC[C@H]1CC(C)C ZINC000160876519 377122398 /nfs/dbraw/zinc/12/23/98/377122398.db2.gz AWWGXRRKFVTCRR-ZDUSSCGKSA-N 1 0 256.390 1.650 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000160560923 377087180 /nfs/dbraw/zinc/08/71/80/377087180.db2.gz XLAHJURRQVSRQB-UHFFFAOYSA-N 1 0 268.401 1.387 20 70 CDIDRO C[C@@H](O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161446866 377633482 /nfs/dbraw/zinc/63/34/82/377633482.db2.gz AMCIESTZLZTAOB-CABCVRRESA-N 1 0 254.418 1.955 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)COc2ccccc2)C1 ZINC000160617468 532967482 /nfs/dbraw/zinc/96/74/82/532967482.db2.gz XOGWEMAAIYRXKV-CHWSQXEVSA-N 1 0 262.353 1.522 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(O)c1 ZINC000159870977 533285032 /nfs/dbraw/zinc/28/50/32/533285032.db2.gz IHYCCPINZMUYMY-LBPRGKRZSA-N 1 0 264.325 1.210 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000161103266 139911583 /nfs/dbraw/zinc/91/15/83/139911583.db2.gz RYKOOGWRHMARPH-STQMWFEESA-N 1 0 266.316 1.404 20 70 CDIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000161163292 264272827 /nfs/dbraw/zinc/27/28/27/264272827.db2.gz JETUJICRVXNHHM-RYUDHWBXSA-N 1 0 280.343 1.851 20 70 CDIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)[C@H]1CCOC1 ZINC000160509545 276534205 /nfs/dbraw/zinc/53/42/05/276534205.db2.gz FNGLPUFAFNPWGG-YNEHKIRRSA-N 1 0 264.373 1.306 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)CC2 ZINC000160531145 279141694 /nfs/dbraw/zinc/14/16/94/279141694.db2.gz LAUPNSJKGPSBHG-RYUDHWBXSA-N 1 0 278.400 1.837 20 70 CDIDRO Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1CC(C)C ZINC000159463551 292759579 /nfs/dbraw/zinc/75/95/79/292759579.db2.gz QUOBLXFISBRJJY-HNNXBMFYSA-N 1 0 292.427 1.918 20 70 CDIDRO CC1(C)CC(NC(=O)N2CCC[C@@](C)(O)C2)CC(C)(C)[NH2+]1 ZINC000159659776 292764586 /nfs/dbraw/zinc/76/45/86/292764586.db2.gz ATXPWAOGQVLNAI-MRXNPFEDSA-N 1 0 297.443 1.852 20 70 CDIDRO CCC(CC)(C[NH2+]Cc1nnnn1C1CC1)C(=O)OC ZINC000159674152 292765213 /nfs/dbraw/zinc/76/52/13/292765213.db2.gz PHJWREHMPJYSEY-UHFFFAOYSA-N 1 0 281.360 1.077 20 70 CDIDRO CCO[C@H](CC)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159858784 292772066 /nfs/dbraw/zinc/77/20/66/292772066.db2.gz OTHAYXVTYAWKOA-CQSZACIVSA-N 1 0 268.401 1.792 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC000160763720 482358195 /nfs/dbraw/zinc/35/81/95/482358195.db2.gz RSAWXTTYGMFNBU-MNOVXSKESA-N 1 0 250.317 1.750 20 70 CDIDRO CC(C)OCC[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000160203005 483062368 /nfs/dbraw/zinc/06/23/68/483062368.db2.gz UYTKOOGYMDWSLD-CQSZACIVSA-N 1 0 285.359 1.718 20 70 CDIDRO CC1CCN(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000160515093 520980813 /nfs/dbraw/zinc/98/08/13/520980813.db2.gz UVBXXAQTKYWERL-ZDUSSCGKSA-N 1 0 253.390 1.864 20 70 CDIDRO Cc1cc(C)n([C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000160181693 534117638 /nfs/dbraw/zinc/11/76/38/534117638.db2.gz BWJYPLWFVXVMSA-MELADBBJSA-N 1 0 276.384 1.414 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161393212 521625253 /nfs/dbraw/zinc/62/52/53/521625253.db2.gz GLEILAFNLFCYAW-CABCVRRESA-N 1 0 291.443 1.913 20 70 CDIDRO COC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC1 ZINC000161191157 522736965 /nfs/dbraw/zinc/73/69/65/522736965.db2.gz GMFWKMRABPSQBN-AWEZNQCLSA-N 1 0 292.427 1.952 20 70 CDIDRO CC[C@@H]1CCC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000159365637 523298299 /nfs/dbraw/zinc/29/82/99/523298299.db2.gz HZLSUWWCQOWVLR-OLZOCXBDSA-N 1 0 268.401 1.840 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160434469 523582070 /nfs/dbraw/zinc/58/20/70/523582070.db2.gz SVQFWSXNWBHMIV-UONOGXRCSA-N 1 0 270.417 1.897 20 70 CDIDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Br)cn1 ZINC000160799749 524416851 /nfs/dbraw/zinc/41/68/51/524416851.db2.gz XKYBDWKNDVEASB-ZETCQYMHSA-N 1 0 272.146 1.198 20 70 CDIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ncccc2F)C1 ZINC000160912335 362208439 /nfs/dbraw/zinc/20/84/39/362208439.db2.gz BTBJNURYKVRKQX-VXGBXAGGSA-N 1 0 294.374 1.893 20 70 CDIDRO C[C@@H]1C[C@H](C)CN(C(=O)CN(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000160125184 362396825 /nfs/dbraw/zinc/39/68/25/362396825.db2.gz OWJJRIQYJOJHTE-SCRDCRAPSA-N 1 0 267.417 1.160 20 70 CDIDRO COCc1ccccc1C[NH2+]C[C@]1(OC)CCOC1 ZINC000160144731 362397839 /nfs/dbraw/zinc/39/78/39/362397839.db2.gz WVWJBQDLMVESOX-OAHLLOKOSA-N 1 0 265.353 1.728 20 70 CDIDRO CO[C@]1(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CCOC1 ZINC000160344841 362415496 /nfs/dbraw/zinc/41/54/96/362415496.db2.gz GQCSAPXFPFTEIN-HIFRSBDPSA-N 1 0 285.384 1.110 20 70 CDIDRO CC[C@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000161075889 362564647 /nfs/dbraw/zinc/56/46/47/362564647.db2.gz ZENHGCSSHGFPGC-VXGBXAGGSA-N 1 0 299.415 1.452 20 70 CDIDRO CCN(CCO)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160950612 362566197 /nfs/dbraw/zinc/56/61/97/362566197.db2.gz RIFZHEWIFXCOIP-AWEZNQCLSA-N 1 0 285.432 1.521 20 70 CDIDRO O=C(Cc1ccsc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159937946 188448263 /nfs/dbraw/zinc/44/82/63/188448263.db2.gz VVTNWDRAOKKOII-CYBMUJFWSA-N 1 0 282.409 1.254 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159868373 363386238 /nfs/dbraw/zinc/38/62/38/363386238.db2.gz FOJBQSNBHDZSBY-ZJUUUORDSA-N 1 0 259.419 1.520 20 70 CDIDRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 ZINC000160935317 358781264 /nfs/dbraw/zinc/78/12/64/358781264.db2.gz SFBRCEFRFNFIPF-HUUCEWRRSA-N 1 0 299.459 1.238 20 70 CDIDRO CS[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160666212 359024608 /nfs/dbraw/zinc/02/46/08/359024608.db2.gz GJRZQEIMNUINGJ-GHMZBOCLSA-N 1 0 256.415 1.729 20 70 CDIDRO Cc1occc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160478833 237176794 /nfs/dbraw/zinc/17/67/94/237176794.db2.gz PWVOPWUXUQACTJ-GFCCVEGCSA-N 1 0 266.341 1.165 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cncc(Br)c2)C1 ZINC000161006141 482851892 /nfs/dbraw/zinc/85/18/92/482851892.db2.gz JLHYWCPJAPECRO-GHMZBOCLSA-N 1 0 298.184 1.844 20 70 CDIDRO NC(=O)[C@H]1CCCN1Cc1c(F)cccc1N1CCCC1 ZINC000160371523 363842022 /nfs/dbraw/zinc/84/20/22/363842022.db2.gz LKMIIHGNEPGCOH-OAHLLOKOSA-N 1 0 291.370 1.876 20 70 CDIDRO O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CCC[NH2+]C1 ZINC000159504261 364222444 /nfs/dbraw/zinc/22/24/44/364222444.db2.gz CEIXAUUZGDLHAB-LLVKDONJSA-N 1 0 271.324 1.410 20 70 CDIDRO C[NH+](C)CC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159434682 364205769 /nfs/dbraw/zinc/20/57/69/364205769.db2.gz XFNLMUNMJGWMGW-KGLIPLIRSA-N 1 0 262.353 1.585 20 70 CDIDRO COC(=O)c1ccc(NC(=O)[C@@H](C)[NH3+])c(OC(F)F)c1 ZINC000159753734 364260991 /nfs/dbraw/zinc/26/09/91/364260991.db2.gz QZEIOAMVHFTCIR-ZCFIWIBFSA-N 1 0 288.250 1.360 20 70 CDIDRO [NH3+]CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160383182 364344080 /nfs/dbraw/zinc/34/40/80/364344080.db2.gz AEXGWPUNRPPNSH-LBPRGKRZSA-N 1 0 250.317 1.566 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000159909680 364279402 /nfs/dbraw/zinc/27/94/02/364279402.db2.gz WFHRPOUSMUXFRV-ZDUSSCGKSA-N 1 0 291.351 1.922 20 70 CDIDRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCC[NH3+] ZINC000159991343 364290630 /nfs/dbraw/zinc/29/06/30/364290630.db2.gz ZJHVIRFMTLYGBS-UHFFFAOYSA-N 1 0 275.356 1.399 20 70 CDIDRO Cc1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)[NH3+])c12 ZINC000160109364 364307229 /nfs/dbraw/zinc/30/72/29/364307229.db2.gz LSGDKFNQHNCLJJ-UHFFFAOYSA-N 1 0 288.351 1.876 20 70 CDIDRO Cc1c(C(=O)NCCC[NH3+])cnn1-c1ccccc1F ZINC000160141482 364311260 /nfs/dbraw/zinc/31/12/60/364311260.db2.gz XQRMRXRLKAYHLR-UHFFFAOYSA-N 1 0 276.315 1.398 20 70 CDIDRO CC[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160146982 364312994 /nfs/dbraw/zinc/31/29/94/364312994.db2.gz BBSFAQJTCRJKSM-UHFFFAOYSA-N 1 0 291.395 1.325 20 70 CDIDRO COc1ccc([C@H](C)CCNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000160555455 364372045 /nfs/dbraw/zinc/37/20/45/364372045.db2.gz ZRMNKCQNCLCQFG-DOMZBBRYSA-N 1 0 292.379 1.293 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCc1ccncc1C ZINC000160581588 364377450 /nfs/dbraw/zinc/37/74/50/364377450.db2.gz UHEGKFRJMFOTQZ-CQSZACIVSA-N 1 0 292.427 1.962 20 70 CDIDRO CCc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160602211 364380725 /nfs/dbraw/zinc/38/07/25/364380725.db2.gz UAMLQMZZUQKSMN-OAHLLOKOSA-N 1 0 290.407 1.826 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+]CC(=O)NC(C)C ZINC000160956768 364432464 /nfs/dbraw/zinc/43/24/64/364432464.db2.gz QDOYMKJLGFANKQ-CQSZACIVSA-N 1 0 264.369 1.358 20 70 CDIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCCO1 ZINC000160905620 364426005 /nfs/dbraw/zinc/42/60/05/364426005.db2.gz JDLZADCGRJHURP-INIZCTEOSA-N 1 0 288.391 1.730 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000161220302 364466379 /nfs/dbraw/zinc/46/63/79/364466379.db2.gz VWNHZJFEHYDAOM-UYSNPLJNSA-N 1 0 276.380 1.757 20 70 CDIDRO Cc1cc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c(C)s1 ZINC000217731709 367258201 /nfs/dbraw/zinc/25/82/01/367258201.db2.gz VGBCQAUXLJSYGB-HLUHBDAQSA-N 1 0 268.382 1.265 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000218277844 373743781 /nfs/dbraw/zinc/74/37/81/373743781.db2.gz UMKXAQIDVGPCJG-CQSZACIVSA-N 1 0 294.395 1.111 20 70 CDIDRO CCN(CC)C(=O)CCC(=O)NCC([NH3+])(CC)CC ZINC000160542619 377084894 /nfs/dbraw/zinc/08/48/94/377084894.db2.gz ITVNWBOBPWYKNZ-UHFFFAOYSA-N 1 0 271.405 1.269 20 70 CDIDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)c(C)o1 ZINC000160647734 377099003 /nfs/dbraw/zinc/09/90/03/377099003.db2.gz ODRAUBXSBBMSBS-UHFFFAOYSA-N 1 0 280.368 1.331 20 70 CDIDRO [NH3+]C1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000159495516 295200565 /nfs/dbraw/zinc/20/05/65/295200565.db2.gz XVKXFEORCFDPFQ-UHFFFAOYSA-N 1 0 290.207 1.821 20 70 CDIDRO O=C1CN(CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]2N1 ZINC000161409836 296333918 /nfs/dbraw/zinc/33/39/18/296333918.db2.gz QJHMTOSHAMPKJY-CABCVRRESA-N 1 0 279.428 1.605 20 70 CDIDRO COCCC1(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000161030726 533196056 /nfs/dbraw/zinc/19/60/56/533196056.db2.gz VFDCXVQNAUCJFM-CQSZACIVSA-N 1 0 297.443 1.786 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000161114706 391537390 /nfs/dbraw/zinc/53/73/90/391537390.db2.gz CNYITJCEMWUEMP-AGIUHOORSA-N 1 0 268.401 1.824 20 70 CDIDRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540860 392959999 /nfs/dbraw/zinc/95/99/99/392959999.db2.gz CJCHLIRWKNEOPE-MCIONIFRSA-N 1 0 267.417 1.162 20 70 CDIDRO NC(=O)c1c[nH+]ccc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160307151 139910346 /nfs/dbraw/zinc/91/03/46/139910346.db2.gz WZDKMKRLZKRIRQ-GXFFZTMASA-N 1 0 261.325 1.550 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000159547391 274266455 /nfs/dbraw/zinc/26/64/55/274266455.db2.gz AWFBTLWBDXJFDC-NEPJUHHUSA-N 1 0 294.420 1.826 20 70 CDIDRO CC(C)C[C@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000159631314 275601276 /nfs/dbraw/zinc/60/12/76/275601276.db2.gz BQDGSNJOYKOLNB-STQMWFEESA-N 1 0 254.374 1.260 20 70 CDIDRO COc1ccc(/C=C\C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000217481420 280088844 /nfs/dbraw/zinc/08/88/44/280088844.db2.gz ZTFOJCUZKWQYPZ-DAXSKMNVSA-N 1 0 274.364 1.906 20 70 CDIDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000218116108 280090384 /nfs/dbraw/zinc/09/03/84/280090384.db2.gz RUODJAMBJOHMDJ-CABCVRRESA-N 1 0 295.427 1.824 20 70 CDIDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1F)N(C)C1CC1 ZINC000218664601 280091152 /nfs/dbraw/zinc/09/11/52/280091152.db2.gz KKLHEFXCVWBWGN-OCCSQVGLSA-N 1 0 296.386 1.638 20 70 CDIDRO Cc1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[NH2+]C1 ZINC000160923172 281079618 /nfs/dbraw/zinc/07/96/18/281079618.db2.gz NAAVYONWVUJEGW-LBPRGKRZSA-N 1 0 260.337 1.720 20 70 CDIDRO CSC[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000159724784 533693062 /nfs/dbraw/zinc/69/30/62/533693062.db2.gz MQVRFIFXSBDYOD-GHMZBOCLSA-N 1 0 258.431 1.880 20 70 CDIDRO [NH3+]C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CCO1 ZINC000160084512 303411792 /nfs/dbraw/zinc/41/17/92/303411792.db2.gz HBWDHSHHDWBRLP-DUTNFGBUSA-N 1 0 278.396 1.245 20 70 CDIDRO Cc1ccc(-n2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)nn2)cc1 ZINC000161503636 482880673 /nfs/dbraw/zinc/88/06/73/482880673.db2.gz FQRJZWLMSVPKKZ-STQMWFEESA-N 1 0 299.378 1.575 20 70 CDIDRO CC1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000161370620 520757111 /nfs/dbraw/zinc/75/71/11/520757111.db2.gz NSNNLVCIIFVNBO-ZDUSSCGKSA-N 1 0 295.427 1.729 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2F)C1 ZINC000160763850 522393235 /nfs/dbraw/zinc/39/32/35/522393235.db2.gz RSAWXTTYGMFNBU-WDEREUQCSA-N 1 0 250.317 1.750 20 70 CDIDRO CC[C@@](C)(O)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000160664136 523661668 /nfs/dbraw/zinc/66/16/68/523661668.db2.gz LQRJJWIXBPNGQS-UKRRQHHQSA-N 1 0 270.417 1.333 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000161056528 361750083 /nfs/dbraw/zinc/75/00/83/361750083.db2.gz VFGPOWJDADQTAY-HOTUBEGUSA-N 1 0 270.760 1.879 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2cccc(C)c2)CCOC1 ZINC000160314066 342072967 /nfs/dbraw/zinc/07/29/67/342072967.db2.gz TWQXSAGIJSDMRE-GDBMZVCRSA-N 1 0 295.379 1.130 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)C(=O)OC(C)C)CC1 ZINC000159924399 361947346 /nfs/dbraw/zinc/94/73/46/361947346.db2.gz KZSOVEWAODQPHN-ZDUSSCGKSA-N 1 0 299.415 1.311 20 70 CDIDRO CCCCCNC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161382653 539117622 /nfs/dbraw/zinc/11/76/22/539117622.db2.gz HOJJBDOIBHCQCR-UHFFFAOYSA-N 1 0 290.411 1.510 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000161088662 362042089 /nfs/dbraw/zinc/04/20/89/362042089.db2.gz JLEQMMLVKXVJJG-KCQAQPDRSA-N 1 0 276.380 1.831 20 70 CDIDRO CCc1ncc(C(=O)NCC([NH3+])(CC)CC)s1 ZINC000160475757 342374420 /nfs/dbraw/zinc/37/44/20/342374420.db2.gz KJTARILXCKNDHJ-UHFFFAOYSA-N 1 0 255.387 1.953 20 70 CDIDRO COC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000159596191 362346614 /nfs/dbraw/zinc/34/66/14/362346614.db2.gz RSVQPWDTOCZWSR-CJNGLKHVSA-N 1 0 288.391 1.586 20 70 CDIDRO CC(C)[NH+](CCNC(=O)c1cc[nH]c(=O)c1)C(C)C ZINC000159625706 362353600 /nfs/dbraw/zinc/35/36/00/362353600.db2.gz MBZLNPYSKZHZSS-UHFFFAOYSA-N 1 0 265.357 1.224 20 70 CDIDRO COc1cc(OC)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000159794862 362370972 /nfs/dbraw/zinc/37/09/72/362370972.db2.gz MXEVSRMTYOKGMY-GHMZBOCLSA-N 1 0 278.356 1.533 20 70 CDIDRO COc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159943025 362380857 /nfs/dbraw/zinc/38/08/57/362380857.db2.gz JHCUWIDFTYFKIA-CYBMUJFWSA-N 1 0 284.381 1.053 20 70 CDIDRO Cc1csc2nc(CN(C)[C@@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992474 362384773 /nfs/dbraw/zinc/38/47/73/362384773.db2.gz DLCHAEIPLAZYAM-LBPRGKRZSA-N 1 0 292.408 1.234 20 70 CDIDRO CN(CC(=O)NC1CCCCCC1)[C@H](C[NH3+])C1CC1 ZINC000160129609 282353927 /nfs/dbraw/zinc/35/39/27/282353927.db2.gz SOHHRYXLFYOVQC-CQSZACIVSA-N 1 0 267.417 1.495 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159748042 362517608 /nfs/dbraw/zinc/51/76/08/362517608.db2.gz HJSJCZMRBULPRS-KFWWJZLASA-N 1 0 295.427 1.728 20 70 CDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCCC[C@H]1O ZINC000160732074 346280785 /nfs/dbraw/zinc/28/07/85/346280785.db2.gz VCFBHWKKHMVICM-MGPQQGTHSA-N 1 0 281.400 1.073 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cc(F)cc2nccnc21 ZINC000160007726 188450664 /nfs/dbraw/zinc/45/06/64/188450664.db2.gz SYNRWVPMGYKCFM-UHFFFAOYSA-N 1 0 262.288 1.236 20 70 CDIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000160973450 188501033 /nfs/dbraw/zinc/50/10/33/188501033.db2.gz WBYRJDAMKVJOQE-CQSZACIVSA-N 1 0 278.396 1.873 20 70 CDIDRO C[C@H](CNC(=O)N(C)CC1CCOCC1)[N@H+](C)C1CC1 ZINC000159799304 363315388 /nfs/dbraw/zinc/31/53/88/363315388.db2.gz WIUKXAPTWVNBKL-GFCCVEGCSA-N 1 0 283.416 1.537 20 70 CDIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CCOC1 ZINC000160599785 356256673 /nfs/dbraw/zinc/25/66/73/356256673.db2.gz JXPJDXRCKCJNPC-IUCAKERBSA-N 1 0 268.279 1.070 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)CC2 ZINC000160531026 358726978 /nfs/dbraw/zinc/72/69/78/358726978.db2.gz LAUPNSJKGPSBHG-NEPJUHHUSA-N 1 0 278.400 1.837 20 70 CDIDRO CCN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160857834 358775224 /nfs/dbraw/zinc/77/52/24/358775224.db2.gz RWLBZAYECOKIMX-LBPRGKRZSA-N 1 0 269.389 1.027 20 70 CDIDRO CCC1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159428275 359117728 /nfs/dbraw/zinc/11/77/28/359117728.db2.gz WMYOYACOXNFHSC-UHFFFAOYSA-N 1 0 293.411 1.973 20 70 CDIDRO CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000160300584 237172865 /nfs/dbraw/zinc/17/28/65/237172865.db2.gz BOACGIXHRKMIOO-VHSXEESVSA-N 1 0 283.397 1.722 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC000160971424 482846236 /nfs/dbraw/zinc/84/62/36/482846236.db2.gz DYRJNRZUEGJVBY-IUCAKERBSA-N 1 0 254.280 1.965 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000160996867 361024201 /nfs/dbraw/zinc/02/42/01/361024201.db2.gz YGVFJQRYQFTVHH-RWMBFGLXSA-N 1 0 266.385 1.592 20 70 CDIDRO C[NH+](C)CC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159434898 364206192 /nfs/dbraw/zinc/20/61/92/364206192.db2.gz XFNLMUNMJGWMGW-ZIAGYGMSSA-N 1 0 262.353 1.585 20 70 CDIDRO C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1cccnc1 ZINC000159458855 364211064 /nfs/dbraw/zinc/21/10/64/364211064.db2.gz WTSAHZKFTAMIIC-OCCSQVGLSA-N 1 0 277.368 1.197 20 70 CDIDRO Cc1cc(C)c(C(=O)NCC2([NH3+])CCCCC2)c(=O)[nH]1 ZINC000159742412 364259960 /nfs/dbraw/zinc/25/99/60/364259960.db2.gz GTJPQORJUSIGRG-UHFFFAOYSA-N 1 0 277.368 1.383 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159896955 364278118 /nfs/dbraw/zinc/27/81/18/364278118.db2.gz GQAGEWLPZGDASY-PWSUYJOCSA-N 1 0 263.341 1.113 20 70 CDIDRO CC(=O)N[C@@H](CC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000160118282 364309164 /nfs/dbraw/zinc/30/91/64/364309164.db2.gz MRSVNSXOYPEKLE-ZDUSSCGKSA-N 1 0 297.786 1.372 20 70 CDIDRO O=C(CCc1ccsc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160203853 364317915 /nfs/dbraw/zinc/31/79/15/364317915.db2.gz PFHHYROPGCWGPH-CQSZACIVSA-N 1 0 296.436 1.644 20 70 CDIDRO O=C(Nc1ccc(F)cc1OCC1CC1)[C@@H]1C[NH2+]CCO1 ZINC000160678933 364394186 /nfs/dbraw/zinc/39/41/86/364394186.db2.gz UIZULKAVXOAAEK-AWEZNQCLSA-N 1 0 294.326 1.541 20 70 CDIDRO Cc1ccc2cc(C(=O)NCC[NH+](C)C)ccc2n1 ZINC000161385304 364485742 /nfs/dbraw/zinc/48/57/42/364485742.db2.gz SSZAGXIHWDPCJV-UHFFFAOYSA-N 1 0 257.337 1.835 20 70 CDIDRO CCc1ccccc1OCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000161182898 367545042 /nfs/dbraw/zinc/54/50/42/367545042.db2.gz GFXOOMTYEWGSFN-AWEZNQCLSA-N 1 0 276.380 1.838 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000217588816 373716379 /nfs/dbraw/zinc/71/63/79/373716379.db2.gz GXSLQCDHBLRLGI-CZUORRHYSA-N 1 0 287.407 1.331 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@H]2COc3ccccc32)CCOC1 ZINC000160304040 373803953 /nfs/dbraw/zinc/80/39/53/373803953.db2.gz DFGMNTMBZQWCAZ-SWLSCSKDSA-N 1 0 263.337 1.558 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCS(=O)(=O)CC(C)C ZINC000160454916 377069223 /nfs/dbraw/zinc/06/92/23/377069223.db2.gz GYADKUKSSMZDRY-UHFFFAOYSA-N 1 0 292.445 1.081 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCO[C@@H](C)CC(C)C)C1 ZINC000160771149 532957571 /nfs/dbraw/zinc/95/75/71/532957571.db2.gz UTTZZBTZNSLLQB-QWHCGFSZSA-N 1 0 256.390 1.648 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 ZINC000160606645 532968511 /nfs/dbraw/zinc/96/85/11/532968511.db2.gz YWJLMPYXVIJGJE-LLVKDONJSA-N 1 0 287.367 1.019 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3ccc(OC)cc3nc2C)C1 ZINC000160472066 532969082 /nfs/dbraw/zinc/96/90/82/532969082.db2.gz OOAKUONNIWGXJM-CYBMUJFWSA-N 1 0 299.374 1.986 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000159995604 285212711 /nfs/dbraw/zinc/21/27/11/285212711.db2.gz OCQAFEWNUOENQZ-RBSFLKMASA-N 1 0 295.427 1.681 20 70 CDIDRO COC[C@@H](NC(=O)NCC1CC[NH+](C)CC1)C1CC1 ZINC000159447720 533354729 /nfs/dbraw/zinc/35/47/29/533354729.db2.gz FYEIMEZVULQLQO-CYBMUJFWSA-N 1 0 269.389 1.052 20 70 CDIDRO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1C[NH2+]CCO1 ZINC000159479818 392478806 /nfs/dbraw/zinc/47/88/06/392478806.db2.gz ZJUMIRPSYVERKH-ZDUSSCGKSA-N 1 0 292.383 1.774 20 70 CDIDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1C/C=C\c1ccccc1 ZINC000216786015 413086957 /nfs/dbraw/zinc/08/69/57/413086957.db2.gz NWQXXJGJYZYTMO-DAXSKMNVSA-N 1 0 285.347 1.374 20 70 CDIDRO COc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)c(Cl)c1 ZINC000217229444 413457649 /nfs/dbraw/zinc/45/76/49/413457649.db2.gz GKCCGAIWPDHIHW-SECBINFHSA-N 1 0 268.744 1.783 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC000160670879 261222204 /nfs/dbraw/zinc/22/22/04/261222204.db2.gz IYPNQSFLCCQBIY-RISCZKNCSA-N 1 0 264.344 1.825 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000159472590 276267302 /nfs/dbraw/zinc/26/73/02/276267302.db2.gz MUCPHKAMFJXXJD-QWHCGFSZSA-N 1 0 288.457 1.875 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3c1cnn3C)CC2 ZINC000160563169 279144167 /nfs/dbraw/zinc/14/41/67/279144167.db2.gz FAXXFQHCOBIBQJ-YPMHNXCESA-N 1 0 286.383 1.302 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000160770609 482823643 /nfs/dbraw/zinc/82/36/43/482823643.db2.gz OGALLQPRPNICSS-NEPJUHHUSA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000160842309 482831115 /nfs/dbraw/zinc/83/11/15/482831115.db2.gz TYJJNGCZNLWKTC-UONOGXRCSA-N 1 0 295.427 1.459 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160946880 482844136 /nfs/dbraw/zinc/84/41/36/482844136.db2.gz CPCXMEJQWMRBBX-ZIAGYGMSSA-N 1 0 290.363 1.654 20 70 CDIDRO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000161087097 482858297 /nfs/dbraw/zinc/85/82/97/482858297.db2.gz BHGYHTKGIDCPMN-RWMBFGLXSA-N 1 0 281.400 1.021 20 70 CDIDRO CC[C@@H](C)[C@H](O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161472938 522395008 /nfs/dbraw/zinc/39/50/08/522395008.db2.gz KEQUDCGCPDREJT-WKIYYKSKSA-N 1 0 256.390 1.430 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2cnn(C)c2C)CC1 ZINC000160358289 519851947 /nfs/dbraw/zinc/85/19/47/519851947.db2.gz BVAMMKNFXIXPSY-UHFFFAOYSA-N 1 0 264.373 1.286 20 70 CDIDRO CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161473205 522326530 /nfs/dbraw/zinc/32/65/30/522326530.db2.gz KEQUDCGCPDREJT-OFVDZJKFSA-N 1 0 256.390 1.430 20 70 CDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000160128652 534756196 /nfs/dbraw/zinc/75/61/96/534756196.db2.gz JEIFHMZCCGQDEI-NSHDSACASA-N 1 0 296.371 1.014 20 70 CDIDRO C[NH2+]C[C@H]1CCN(c2ccncc2Br)C1 ZINC000159898719 536469008 /nfs/dbraw/zinc/46/90/08/536469008.db2.gz DMAQOQXLWHFXND-SECBINFHSA-N 1 0 270.174 1.890 20 70 CDIDRO CC(C)(C[NH3+])C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161203782 527069604 /nfs/dbraw/zinc/06/96/04/527069604.db2.gz GQECNSXDGWFKNA-UHFFFAOYSA-N 1 0 295.330 1.806 20 70 CDIDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000161192629 527961364 /nfs/dbraw/zinc/96/13/64/527961364.db2.gz HILZYIVEKTZWGN-AWEZNQCLSA-N 1 0 268.401 1.792 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)C(C)C ZINC000161000619 527964998 /nfs/dbraw/zinc/96/49/98/527964998.db2.gz MNXGSGIGERZVCK-CABCVRRESA-N 1 0 299.459 1.813 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000160262326 342072942 /nfs/dbraw/zinc/07/29/42/342072942.db2.gz BHCKUBOMIJJVNR-LLVKDONJSA-N 1 0 271.332 1.580 20 70 CDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159738505 361821163 /nfs/dbraw/zinc/82/11/63/361821163.db2.gz YZHUPZHVWFPMLD-OAHLLOKOSA-N 1 0 296.459 1.456 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccccc1OC ZINC000161185528 361915529 /nfs/dbraw/zinc/91/55/29/361915529.db2.gz SXPHMEYCPOQBFW-CQSZACIVSA-N 1 0 276.380 1.838 20 70 CDIDRO O=C([C@H]1CC[NH2+]C1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161222007 361929859 /nfs/dbraw/zinc/92/98/59/361929859.db2.gz SVZNRESMFHSBAD-GXTWGEPZSA-N 1 0 266.385 1.546 20 70 CDIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000160208877 362054138 /nfs/dbraw/zinc/05/41/38/362054138.db2.gz VFBDCDVRMFXKEM-CYBMUJFWSA-N 1 0 299.415 1.454 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159613349 362345836 /nfs/dbraw/zinc/34/58/36/362345836.db2.gz HAUCAKHKJJCMQS-NWDGAFQWSA-N 1 0 258.431 1.961 20 70 CDIDRO COc1c(C)cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1C ZINC000216786505 344827210 /nfs/dbraw/zinc/82/72/10/344827210.db2.gz VHGHCFRFLASGPF-LBPRGKRZSA-N 1 0 262.353 1.746 20 70 CDIDRO CC1(C)CC[C@@H](C[N@@H+]2CCCC3(C2)OCCO3)O1 ZINC000160391119 346060643 /nfs/dbraw/zinc/06/06/43/346060643.db2.gz CRZNOJFPCYUKSR-LBPRGKRZSA-N 1 0 255.358 1.783 20 70 CDIDRO CCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160725562 346250777 /nfs/dbraw/zinc/25/07/77/346250777.db2.gz BQIZZLXIKCXFQR-AWEZNQCLSA-N 1 0 265.401 1.912 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC000161108234 362674924 /nfs/dbraw/zinc/67/49/24/362674924.db2.gz SUPJKFMRJCOFKR-ZDUSSCGKSA-N 1 0 299.415 1.215 20 70 CDIDRO CCN(CC(=O)Nc1cc(C)no1)Cc1cnn(C)c1 ZINC000161109215 362675561 /nfs/dbraw/zinc/67/55/61/362675561.db2.gz OENNUPGXYAGKGU-UHFFFAOYSA-N 1 0 277.328 1.177 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000161377823 362846540 /nfs/dbraw/zinc/84/65/40/362846540.db2.gz IOIAZMDQRKFROL-IHRRRGAJSA-N 1 0 284.400 1.171 20 70 CDIDRO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159604678 363052866 /nfs/dbraw/zinc/05/28/66/363052866.db2.gz ZGKRTTYMJOGYKK-STQMWFEESA-N 1 0 281.400 1.877 20 70 CDIDRO COc1ccc(OCCCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159930435 188447926 /nfs/dbraw/zinc/44/79/26/188447926.db2.gz LSCCZKITJIQRRX-UHFFFAOYSA-N 1 0 280.368 1.708 20 70 CDIDRO [NH3+]CCCNC(=O)c1c(Cl)nc2ccccn21 ZINC000160079168 188454061 /nfs/dbraw/zinc/45/40/61/188454061.db2.gz ISQWWDZOPWCBMQ-UHFFFAOYSA-N 1 0 252.705 1.066 20 70 CDIDRO CCc1ccc(N2C[C@@H](C(=O)NCCC[NH3+])CC2=O)cc1 ZINC000160072032 188454730 /nfs/dbraw/zinc/45/47/30/188454730.db2.gz KUFPCPKEMAPGQU-ZDUSSCGKSA-N 1 0 289.379 1.067 20 70 CDIDRO CC(C)Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160266383 188462941 /nfs/dbraw/zinc/46/29/41/188462941.db2.gz FDFSYMSKOOZSIZ-OAHLLOKOSA-N 1 0 260.381 1.987 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000160779736 188490683 /nfs/dbraw/zinc/49/06/83/188490683.db2.gz OXTRNNVKZHJURS-ZDUSSCGKSA-N 1 0 260.337 1.470 20 70 CDIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1C(C)(C)C ZINC000159464859 359963827 /nfs/dbraw/zinc/96/38/27/359963827.db2.gz UHXLQPYHDDVBFC-BETUJISGSA-N 1 0 290.411 1.913 20 70 CDIDRO CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000160963483 360215372 /nfs/dbraw/zinc/21/53/72/360215372.db2.gz RHXYTYXBTDIOFG-GJZGRUSLSA-N 1 0 292.379 1.375 20 70 CDIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000160973559 360463223 /nfs/dbraw/zinc/46/32/23/360463223.db2.gz WBYRJDAMKVJOQE-AWEZNQCLSA-N 1 0 278.396 1.873 20 70 CDIDRO O=C(c1cc(-c2ccncc2)on1)N1CCC[NH2+]CC1 ZINC000160873368 361479292 /nfs/dbraw/zinc/47/92/92/361479292.db2.gz JTQDWZBZAFEWBG-UHFFFAOYSA-N 1 0 272.308 1.172 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000159428442 361696069 /nfs/dbraw/zinc/69/60/69/361696069.db2.gz BSCHTIRCPKVKJI-GXFFZTMASA-N 1 0 250.317 1.955 20 70 CDIDRO NC(=O)[C@H]1CCCN1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372658 363835715 /nfs/dbraw/zinc/83/57/15/363835715.db2.gz YSAPHNXYSYUAIL-CQSZACIVSA-N 1 0 288.326 1.461 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159501841 364222004 /nfs/dbraw/zinc/22/20/04/364222004.db2.gz RSVYHCYCKJWXAG-LLVKDONJSA-N 1 0 259.313 1.538 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159502468 364221650 /nfs/dbraw/zinc/22/16/50/364221650.db2.gz XQMRPNGNFBJSRK-LLVKDONJSA-N 1 0 291.380 1.491 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159699236 364254578 /nfs/dbraw/zinc/25/45/78/364254578.db2.gz BMNIEYPVSGLJTF-ZETCQYMHSA-N 1 0 264.251 1.239 20 70 CDIDRO CN(CC(=O)c1cccn1C)C[C@@H]1CCC[C@@H]1O ZINC000159785768 364265369 /nfs/dbraw/zinc/26/53/69/364265369.db2.gz FGGYTOGHTPVTSB-AAEUAGOBSA-N 1 0 250.342 1.301 20 70 CDIDRO Cc1ccc(C[C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)s1 ZINC000159794046 364265503 /nfs/dbraw/zinc/26/55/03/364265503.db2.gz KVFCFQXOWPYGHC-WCQYABFASA-N 1 0 296.436 1.872 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NOCc2ccccc2)CC1 ZINC000159818218 364270309 /nfs/dbraw/zinc/27/03/09/364270309.db2.gz HQTKSVPDHRZKFW-UHFFFAOYSA-N 1 0 277.368 1.855 20 70 CDIDRO CCCn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000159852815 364273246 /nfs/dbraw/zinc/27/32/46/364273246.db2.gz BWYABHAOWLAABK-ZIAGYGMSSA-N 1 0 287.363 1.713 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000160217894 364319538 /nfs/dbraw/zinc/31/95/38/364319538.db2.gz WINTXVJTEREPLN-SNVBAGLBSA-N 1 0 279.384 1.728 20 70 CDIDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnccn1 ZINC000160210369 364319626 /nfs/dbraw/zinc/31/96/26/364319626.db2.gz CQMHRNCQHZCJGH-CYBMUJFWSA-N 1 0 277.416 1.153 20 70 CDIDRO CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160353519 364337149 /nfs/dbraw/zinc/33/71/49/364337149.db2.gz XTLGIHSKYBOIDL-GFCCVEGCSA-N 1 0 296.392 1.044 20 70 CDIDRO CCCN(CC(=O)NCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160001215 364293009 /nfs/dbraw/zinc/29/30/09/364293009.db2.gz BTUPCMPFAQMMKX-ZDUSSCGKSA-N 1 0 291.395 1.862 20 70 CDIDRO COc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)nn1 ZINC000160138109 364311373 /nfs/dbraw/zinc/31/13/73/364311373.db2.gz JWLNAWXLOXHOTN-UHFFFAOYSA-N 1 0 292.383 1.289 20 70 CDIDRO COC(C[N@H+](C)Cc1ccc2c(c1)OCO2)OC ZINC000160483558 364360034 /nfs/dbraw/zinc/36/00/34/364360034.db2.gz FEKYYBACYBOZHM-UHFFFAOYSA-N 1 0 253.298 1.466 20 70 CDIDRO Cn1c(=O)cccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160891394 364424462 /nfs/dbraw/zinc/42/44/62/364424462.db2.gz MIBVKPRQODGACQ-UHFFFAOYSA-N 1 0 299.374 1.247 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1 ZINC000161330531 364479288 /nfs/dbraw/zinc/47/92/88/364479288.db2.gz VDCBAQVGHWWANF-RYUDHWBXSA-N 1 0 292.383 1.760 20 70 CDIDRO COc1cc(C[NH2+]C[C@@](C)(O)CSC)cc2c1OCO2 ZINC000217843913 367260055 /nfs/dbraw/zinc/26/00/55/367260055.db2.gz ONDJXYUMJPSESX-CQSZACIVSA-N 1 0 299.392 1.628 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000161507953 375650509 /nfs/dbraw/zinc/65/05/09/375650509.db2.gz AWWYCMWXFNFVJQ-SNPRPXQTSA-N 1 0 278.396 1.988 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000161495390 375637220 /nfs/dbraw/zinc/63/72/20/375637220.db2.gz RDYCDVRYEDDNOL-ZJUUUORDSA-N 1 0 294.351 1.778 20 70 CDIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000161499954 375643453 /nfs/dbraw/zinc/64/34/53/375643453.db2.gz SOANYCCVZGRRFJ-KGLIPLIRSA-N 1 0 290.388 1.468 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc3nnnn3n2)C1 ZINC000161288170 377203159 /nfs/dbraw/zinc/20/31/59/377203159.db2.gz NGOBYMBUIIZJQQ-GFCCVEGCSA-N 1 0 289.387 1.299 20 70 CDIDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ncn1 ZINC000161230939 377493242 /nfs/dbraw/zinc/49/32/42/377493242.db2.gz PRNFPIIPSNZTOF-GFCCVEGCSA-N 1 0 290.392 1.879 20 70 CDIDRO COC(=O)CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161361502 377601767 /nfs/dbraw/zinc/60/17/67/377601767.db2.gz VZGYEHTXHVYJQJ-SNVBAGLBSA-N 1 0 269.263 1.185 20 70 CDIDRO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(F)c1 ZINC000161487458 390659928 /nfs/dbraw/zinc/65/99/28/390659928.db2.gz CMZNCRCQBXRLQS-TUKIKUTGSA-N 1 0 292.354 1.724 20 70 CDIDRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159613014 390940381 /nfs/dbraw/zinc/94/03/81/390940381.db2.gz VPLSNXKYRGOUHI-ZDUSSCGKSA-N 1 0 268.401 1.935 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CC2CCCCC2)[C@H](C[NH3+])C1 ZINC000161122477 390932572 /nfs/dbraw/zinc/93/25/72/390932572.db2.gz STIPKHGGAPRIFF-UONOGXRCSA-N 1 0 268.401 1.922 20 70 CDIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000160845925 391573559 /nfs/dbraw/zinc/57/35/59/391573559.db2.gz ICNUODFFFCQLBM-OCCSQVGLSA-N 1 0 281.400 1.434 20 70 CDIDRO CN(C(=O)c1cc(F)c(F)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000159900684 139906398 /nfs/dbraw/zinc/90/63/98/139906398.db2.gz QRFPXUNOHMMDMG-LLVKDONJSA-N 1 0 272.270 1.913 20 70 CDIDRO CO[C@]1(C[NH2+][C@H](C)Cc2ccc(O)cc2)CCOC1 ZINC000160098420 139909216 /nfs/dbraw/zinc/90/92/16/139909216.db2.gz CYXMOSZFPKDHLW-DOMZBBRYSA-N 1 0 265.353 1.718 20 70 CDIDRO CC(C)(C)c1noc(CCCC(=O)N2CC[C@@H]([NH3+])C2)n1 ZINC000160302444 139910582 /nfs/dbraw/zinc/91/05/82/139910582.db2.gz JEWFBQPWBZKTJM-SNVBAGLBSA-N 1 0 280.372 1.249 20 70 CDIDRO C[NH+](C)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160850724 289077014 /nfs/dbraw/zinc/07/70/14/289077014.db2.gz NWTXPQJZXJQUJG-LBPRGKRZSA-N 1 0 254.374 1.546 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000161510379 275946922 /nfs/dbraw/zinc/94/69/22/275946922.db2.gz GAELBVIAHSVUKX-CHWSQXEVSA-N 1 0 283.416 1.091 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNc1c(C)cccc1C ZINC000161384861 277276801 /nfs/dbraw/zinc/27/68/01/277276801.db2.gz LVUGGFIIJHNEII-AWEZNQCLSA-N 1 0 275.396 1.926 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000160177376 278221019 /nfs/dbraw/zinc/22/10/19/278221019.db2.gz LPPPVZVOYVALMK-GXTWGEPZSA-N 1 0 295.427 1.411 20 70 CDIDRO O=C(/C=C\c1ccc2c(c1)OCO2)NCC1CC[NH2+]CC1 ZINC000217468930 280088909 /nfs/dbraw/zinc/08/89/09/280088909.db2.gz ZFJJVIBSRNHVME-RQOWECAXSA-N 1 0 288.347 1.544 20 70 CDIDRO C[NH+](C)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160850591 289076206 /nfs/dbraw/zinc/07/62/06/289076206.db2.gz NWTXPQJZXJQUJG-GFCCVEGCSA-N 1 0 254.374 1.546 20 70 CDIDRO C[NH+]1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000159570537 292761879 /nfs/dbraw/zinc/76/18/79/292761879.db2.gz CKLLWAXXPYVFMC-UHFFFAOYSA-N 1 0 266.320 1.114 20 70 CDIDRO CCC[C@H]1CN(C(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000160215075 292780637 /nfs/dbraw/zinc/78/06/37/292780637.db2.gz WWLMXPRXYDSIJV-HNNXBMFYSA-N 1 0 297.443 1.929 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)C[C@H](C)SC)CC1 ZINC000161182203 292801162 /nfs/dbraw/zinc/80/11/62/292801162.db2.gz OYKJLRVOTHOHFD-NSHDSACASA-N 1 0 274.430 1.355 20 70 CDIDRO OCCCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161206820 292801954 /nfs/dbraw/zinc/80/19/54/292801954.db2.gz YGTGSKTYTVTCCC-NSHDSACASA-N 1 0 269.307 1.784 20 70 CDIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000159895103 302222038 /nfs/dbraw/zinc/22/20/38/302222038.db2.gz HZVFZOPTGKDEPC-YCPHGPKFSA-N 1 0 288.391 1.688 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000160770175 482823788 /nfs/dbraw/zinc/82/37/88/482823788.db2.gz OGALLQPRPNICSS-NWDGAFQWSA-N 1 0 285.351 1.267 20 70 CDIDRO CCOc1ccc(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161386298 482876696 /nfs/dbraw/zinc/87/66/96/482876696.db2.gz PTKVPYMSOVLBCW-QWHCGFSZSA-N 1 0 292.379 1.850 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCCc2nc(C)no2)CC1 ZINC000160396101 519848699 /nfs/dbraw/zinc/84/86/99/519848699.db2.gz MPVFPNQXXJFZKU-UHFFFAOYSA-N 1 0 294.399 1.645 20 70 CDIDRO CCC[C@@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160680430 520608975 /nfs/dbraw/zinc/60/89/75/520608975.db2.gz NJJDACCNDHBDFF-GFCCVEGCSA-N 1 0 256.390 1.243 20 70 CDIDRO CC[C@@H](C)NC(=O)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161389390 522152440 /nfs/dbraw/zinc/15/24/40/522152440.db2.gz DLXAKGJFUHCKDI-LMWSTFAQSA-N 1 0 283.416 1.328 20 70 CDIDRO C[NH+]1CCC(CCNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000161094666 523759557 /nfs/dbraw/zinc/75/95/57/523759557.db2.gz VCZPYRMYNADNJE-AWEZNQCLSA-N 1 0 290.411 1.294 20 70 CDIDRO O=C(CC[NH2+]CCC1CCCCC1)N1CCOCC1 ZINC000159368782 526510157 /nfs/dbraw/zinc/51/01/57/526510157.db2.gz SVEQRLAKQIYBES-UHFFFAOYSA-N 1 0 268.401 1.795 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])C1(C)C ZINC000160501728 527793003 /nfs/dbraw/zinc/79/30/03/527793003.db2.gz WDOJZEGMQDBZJZ-GHMZBOCLSA-N 1 0 256.390 1.633 20 70 CDIDRO CC(C)c1nccn1CCC(=O)NCC(C)(C)[NH3+] ZINC000160051228 528370712 /nfs/dbraw/zinc/37/07/12/528370712.db2.gz CHYNMLZSHWIBRA-UHFFFAOYSA-N 1 0 252.362 1.250 20 70 CDIDRO CCC(=O)N[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160757218 528408122 /nfs/dbraw/zinc/40/81/22/528408122.db2.gz KVHQHIDYHQGBJF-OAHLLOKOSA-N 1 0 281.444 1.853 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159646997 361760269 /nfs/dbraw/zinc/76/02/69/361760269.db2.gz YASLLQOBYGPUHH-ZFWWWQNUSA-N 1 0 262.353 1.498 20 70 CDIDRO CCOC(=O)NCCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000159527170 362117126 /nfs/dbraw/zinc/11/71/26/362117126.db2.gz VZIHAVFIOHLVHS-UHFFFAOYSA-N 1 0 297.399 1.067 20 70 CDIDRO C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CC[C@@H]1O ZINC000159416755 362320256 /nfs/dbraw/zinc/32/02/56/362320256.db2.gz NSMILJJBEQVXMC-BPUTZDHNSA-N 1 0 279.380 1.267 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@H]2COc3ccccc32)CCOC1 ZINC000160303903 362410324 /nfs/dbraw/zinc/41/03/24/362410324.db2.gz DFGMNTMBZQWCAZ-WFASDCNBSA-N 1 0 263.337 1.558 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC000160644015 362459508 /nfs/dbraw/zinc/45/95/08/362459508.db2.gz IXMRBPHYPAPRHZ-QWHCGFSZSA-N 1 0 262.353 1.583 20 70 CDIDRO CCOC(=O)c1ccc(CNC(=O)C2([NH3+])CCCCC2)o1 ZINC000159576520 345219744 /nfs/dbraw/zinc/21/97/44/345219744.db2.gz DKHQJXFSAPBKOV-UHFFFAOYSA-N 1 0 294.351 1.734 20 70 CDIDRO FC(F)COc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000217873873 346215660 /nfs/dbraw/zinc/21/56/60/346215660.db2.gz QSLHSWVERFBAIQ-UHFFFAOYSA-N 1 0 256.296 1.736 20 70 CDIDRO CC(C)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160044551 188452403 /nfs/dbraw/zinc/45/24/03/188452403.db2.gz IRTBOTKZCGBRFY-UHFFFAOYSA-N 1 0 298.408 1.336 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NC[C@H](C)SC ZINC000159838405 363368149 /nfs/dbraw/zinc/36/81/49/363368149.db2.gz XBVCQYHPMZZYLC-NSHDSACASA-N 1 0 261.435 1.769 20 70 CDIDRO CCC[N@H+](CCO)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000217662328 283265478 /nfs/dbraw/zinc/26/54/78/283265478.db2.gz CTJFIPZSFVZFRI-HUUCEWRRSA-N 1 0 282.428 1.872 20 70 CDIDRO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000160441520 358639381 /nfs/dbraw/zinc/63/93/81/358639381.db2.gz XSDXRXFELUIDGA-HOTGVXAUSA-N 1 0 295.471 1.957 20 70 CDIDRO OC1(C[N@@H+]2CCCc3ccccc3C2)CCOCC1 ZINC000160069408 363638743 /nfs/dbraw/zinc/63/87/43/363638743.db2.gz CUXAEMKLKBQHLY-UHFFFAOYSA-N 1 0 261.365 1.976 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161067950 237189006 /nfs/dbraw/zinc/18/90/06/237189006.db2.gz QKVAMQCTUWLAPJ-MCIONIFRSA-N 1 0 266.385 1.450 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000161088528 360644263 /nfs/dbraw/zinc/64/42/63/360644263.db2.gz YZCJMJHZLBNSRW-SWLSCSKDSA-N 1 0 292.448 1.988 20 70 CDIDRO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000160837097 361319421 /nfs/dbraw/zinc/31/94/21/361319421.db2.gz JBTSHVFOFIOWNL-VXGBXAGGSA-N 1 0 286.297 1.886 20 70 CDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000160203097 363755418 /nfs/dbraw/zinc/75/54/18/363755418.db2.gz ONMOGGYLTODCHM-ZIAGYGMSSA-N 1 0 266.385 1.281 20 70 CDIDRO Cc1oc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000160449955 361456836 /nfs/dbraw/zinc/45/68/36/361456836.db2.gz BLXRABCPFJGMSN-AWEZNQCLSA-N 1 0 294.395 1.781 20 70 CDIDRO CC(C)([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159394670 364199049 /nfs/dbraw/zinc/19/90/49/364199049.db2.gz NRSJOUXSZRLYQB-JTQLQIEISA-N 1 0 295.770 1.299 20 70 CDIDRO CC[NH+](CC)[C@H](C(=O)NCCO)c1ccccc1 ZINC000159428671 364204342 /nfs/dbraw/zinc/20/43/42/364204342.db2.gz KTVOLEFLDBYYSV-ZDUSSCGKSA-N 1 0 250.342 1.178 20 70 CDIDRO NC(=O)c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626663 364243540 /nfs/dbraw/zinc/24/35/40/364243540.db2.gz CPCRYUINIJIZDV-ILXRZTDVSA-N 1 0 286.375 1.833 20 70 CDIDRO CC(C)(CNC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000159706986 364254134 /nfs/dbraw/zinc/25/41/34/364254134.db2.gz PZYNSJXWPNMGIV-ZDUSSCGKSA-N 1 0 280.343 1.208 20 70 CDIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(OC)c1 ZINC000159716380 364256383 /nfs/dbraw/zinc/25/63/83/364256383.db2.gz VNGJUXIOQDMKOY-UHFFFAOYSA-N 1 0 292.379 1.791 20 70 CDIDRO Cc1cccc(-n2cc(C(=O)N3CCC[C@@H]3C[NH3+])nn2)c1 ZINC000160256854 364325539 /nfs/dbraw/zinc/32/55/39/364325539.db2.gz GDKXSYZZDOHJKL-CYBMUJFWSA-N 1 0 285.351 1.139 20 70 CDIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648937 364389604 /nfs/dbraw/zinc/38/96/04/364389604.db2.gz FKDYBLQIMGLHRC-ZFWWWQNUSA-N 1 0 277.412 1.653 20 70 CDIDRO COC[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161270266 364472283 /nfs/dbraw/zinc/47/22/83/364472283.db2.gz VFZISIQCEPJWMT-SCZZXKLOSA-N 1 0 255.280 1.657 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(F)c1F ZINC000218387964 367261337 /nfs/dbraw/zinc/26/13/37/367261337.db2.gz PRAPGURXENFNEX-MNOVXSKESA-N 1 0 281.306 1.716 20 70 CDIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)nn1 ZINC000160518946 370175068 /nfs/dbraw/zinc/17/50/68/370175068.db2.gz AIPZUSWOJDENSR-GFCCVEGCSA-N 1 0 292.383 1.335 20 70 CDIDRO CC[N@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)C(C)C ZINC000161146574 377159260 /nfs/dbraw/zinc/15/92/60/377159260.db2.gz LXXFKHWXPDACAJ-ZDUSSCGKSA-N 1 0 278.400 1.292 20 70 CDIDRO CCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160738405 391466433 /nfs/dbraw/zinc/46/64/33/391466433.db2.gz CVIZDIZPEBGNIE-KBPBESRZSA-N 1 0 268.401 1.671 20 70 CDIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000160845786 391573691 /nfs/dbraw/zinc/57/36/91/391573691.db2.gz ICNUODFFFCQLBM-TZMCWYRMSA-N 1 0 281.400 1.434 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc(C(N)=O)c1 ZINC000218185733 140165561 /nfs/dbraw/zinc/16/55/61/140165561.db2.gz NJQDQFOFAUFENJ-LBPRGKRZSA-N 1 0 263.385 1.605 20 70 CDIDRO C[NH2+]CCC1CCN(c2nc(OC)cc(OC)n2)CC1 ZINC000159802372 277266262 /nfs/dbraw/zinc/26/62/62/277266262.db2.gz WQEVHPWJUZJQCI-UHFFFAOYSA-N 1 0 280.372 1.320 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)c1cccc2[nH]c(=O)oc21)C1CC1 ZINC000159578988 292762228 /nfs/dbraw/zinc/76/22/28/292762228.db2.gz IMLGHDHWVVUIQB-GFCCVEGCSA-N 1 0 289.335 1.191 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CCc2ccco2)[C@@H](C[NH3+])C1 ZINC000161077179 292799784 /nfs/dbraw/zinc/79/97/84/292799784.db2.gz ZQJYTPAJIYKFHW-DGCLKSJQSA-N 1 0 266.341 1.177 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000161442228 292805948 /nfs/dbraw/zinc/80/59/48/292805948.db2.gz ILRMFGXBLHBSFO-UHFFFAOYSA-N 1 0 291.395 1.776 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N(C)CCC1CCOCC1 ZINC000161484131 292807388 /nfs/dbraw/zinc/80/73/88/292807388.db2.gz CACDFHJYGPNVAR-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000160891557 482836704 /nfs/dbraw/zinc/83/67/04/482836704.db2.gz OKSYGEZHOJXFKH-VXGBXAGGSA-N 1 0 268.307 1.893 20 70 CDIDRO CC(C)C[C@@H]([NH3+])C(=O)NCCCOC1CCOCC1 ZINC000160939801 482844305 /nfs/dbraw/zinc/84/43/05/482844305.db2.gz UUMQJVBNNOYCNB-CYBMUJFWSA-N 1 0 272.389 1.062 20 70 CDIDRO COCCOc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161058802 482857726 /nfs/dbraw/zinc/85/77/26/482857726.db2.gz PXHPEPAJPUYUID-KGLIPLIRSA-N 1 0 292.379 1.712 20 70 CDIDRO CCOc1ccccc1OCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161169878 482865500 /nfs/dbraw/zinc/86/55/00/482865500.db2.gz JSYMLEMUYLSLFY-OLZOCXBDSA-N 1 0 292.379 1.850 20 70 CDIDRO CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160874031 521871387 /nfs/dbraw/zinc/87/13/87/521871387.db2.gz QNAVYSYOOJJSEY-GUTXKFCHSA-N 1 0 297.443 1.710 20 70 CDIDRO COC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160508452 522381471 /nfs/dbraw/zinc/38/14/71/522381471.db2.gz LFTJEUIYDVEICK-NWDGAFQWSA-N 1 0 252.362 1.162 20 70 CDIDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(N)=O ZINC000161230103 522790533 /nfs/dbraw/zinc/79/05/33/522790533.db2.gz AYEPASPOCICMKU-UHFFFAOYSA-N 1 0 290.342 1.566 20 70 CDIDRO COCCC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161465779 523003440 /nfs/dbraw/zinc/00/34/40/523003440.db2.gz AOPQWCJDFSPPQD-CYBMUJFWSA-N 1 0 266.385 1.500 20 70 CDIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)CC ZINC000161416419 523198624 /nfs/dbraw/zinc/19/86/24/523198624.db2.gz JLNPZCHXZIVGAE-NEPJUHHUSA-N 1 0 262.419 1.484 20 70 CDIDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000161288835 523598985 /nfs/dbraw/zinc/59/89/85/523598985.db2.gz YCWKRRBTUWHCBO-NWDGAFQWSA-N 1 0 291.399 1.145 20 70 CDIDRO C[C@@](NCCC[NH+]1CCCCC1)(C(N)=O)c1ccccc1 ZINC000161442541 525755116 /nfs/dbraw/zinc/75/51/16/525755116.db2.gz LSZIXASCACKJIV-KRWDZBQOSA-N 1 0 289.423 1.853 20 70 CDIDRO O=C(C[C@H]1CCCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160450402 527162213 /nfs/dbraw/zinc/16/22/13/527162213.db2.gz IJAQGEPQIYICDE-FRRDWIJNSA-N 1 0 252.358 1.299 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])C1(C)C ZINC000160501472 527895395 /nfs/dbraw/zinc/89/53/95/527895395.db2.gz WDOJZEGMQDBZJZ-WDEREUQCSA-N 1 0 256.390 1.633 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000161139451 536657100 /nfs/dbraw/zinc/65/71/00/536657100.db2.gz IQMKAIXQMAUCPX-ZIAGYGMSSA-N 1 0 268.401 1.922 20 70 CDIDRO COc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992954 342072976 /nfs/dbraw/zinc/07/29/76/342072976.db2.gz DRJGRJXKAXCTBZ-PWSUYJOCSA-N 1 0 278.352 1.736 20 70 CDIDRO C[N@H+](CCC(=O)NC1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159741144 361820644 /nfs/dbraw/zinc/82/06/44/361820644.db2.gz SXKCCABIOSSELG-OCCSQVGLSA-N 1 0 268.401 1.528 20 70 CDIDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H](C)[NH3+] ZINC000159783475 361845923 /nfs/dbraw/zinc/84/59/23/361845923.db2.gz RRPNTGHMWPNSOB-SNVBAGLBSA-N 1 0 297.786 1.864 20 70 CDIDRO COCC[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000160158948 539115461 /nfs/dbraw/zinc/11/54/61/539115461.db2.gz DDCPWWZOJZQISZ-TZMCWYRMSA-N 1 0 268.401 1.935 20 70 CDIDRO CO[C@@H](CNC(=O)C[NH+](C)C)c1ccccc1Cl ZINC000160543519 539116118 /nfs/dbraw/zinc/11/61/18/539116118.db2.gz LFODSCJSUXBAEE-LBPRGKRZSA-N 1 0 270.760 1.705 20 70 CDIDRO CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])on1 ZINC000160181926 529428389 /nfs/dbraw/zinc/42/83/89/529428389.db2.gz SAEIKDMEBAESJQ-NXEZZACHSA-N 1 0 251.330 1.751 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161099681 282177630 /nfs/dbraw/zinc/17/76/30/282177630.db2.gz AFRNDDJDLKFGCP-CVEARBPZSA-N 1 0 290.407 1.845 20 70 CDIDRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)COC)c1 ZINC000160199392 362053182 /nfs/dbraw/zinc/05/31/82/362053182.db2.gz JGHBNDHMFOFMJZ-CQSZACIVSA-N 1 0 264.369 1.951 20 70 CDIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000160817055 362180534 /nfs/dbraw/zinc/18/05/34/362180534.db2.gz QKTKSUZXYJEOFH-QWHCGFSZSA-N 1 0 256.390 1.384 20 70 CDIDRO CCN(C)C(=O)C[NH2+]Cc1cccc2cccnc21 ZINC000159416020 362320521 /nfs/dbraw/zinc/32/05/21/362320521.db2.gz HBDRMPIBBUNHHQ-UHFFFAOYSA-N 1 0 257.337 1.803 20 70 CDIDRO CN(C(=O)c1cccc2nccnc21)[C@H](C[NH3+])C1CC1 ZINC000159830419 362373182 /nfs/dbraw/zinc/37/31/82/362373182.db2.gz BLPCHDXMDBORHY-CYBMUJFWSA-N 1 0 270.336 1.439 20 70 CDIDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc(OC)c1C ZINC000160380924 362419222 /nfs/dbraw/zinc/41/92/22/362419222.db2.gz BPHFIAAFRMMIFA-GFCCVEGCSA-N 1 0 278.352 1.576 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000160567257 362446608 /nfs/dbraw/zinc/44/66/08/362446608.db2.gz XKQCWIDMORRPDC-LBPRGKRZSA-N 1 0 273.336 1.005 20 70 CDIDRO O=C(c1cccc(F)c1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159783409 362528046 /nfs/dbraw/zinc/52/80/46/362528046.db2.gz WXGUDGLDJMHGFH-AOOOYVTPSA-N 1 0 266.291 1.931 20 70 CDIDRO CC(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000160419005 346129787 /nfs/dbraw/zinc/12/97/87/346129787.db2.gz GNUXYSGXKIWIDZ-HUUCEWRRSA-N 1 0 297.443 1.384 20 70 CDIDRO CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160693951 346196217 /nfs/dbraw/zinc/19/62/17/346196217.db2.gz SDIQBKFQTJMLCV-HNNXBMFYSA-N 1 0 288.395 1.707 20 70 CDIDRO C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Oc1ccccc1F ZINC000161160254 188511806 /nfs/dbraw/zinc/51/18/06/188511806.db2.gz CLSUXTLHBYARBU-IAQYHMDHSA-N 1 0 280.343 1.709 20 70 CDIDRO O=C(Nc1cnn(-c2ccccc2F)c1)C1CC[NH2+]CC1 ZINC000161073392 188506143 /nfs/dbraw/zinc/50/61/43/188506143.db2.gz UCCVBUFZBNEDPW-UHFFFAOYSA-N 1 0 288.326 1.950 20 70 CDIDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747863 363272317 /nfs/dbraw/zinc/27/23/17/363272317.db2.gz QAKMIYBPKRHCHK-RISCZKNCSA-N 1 0 277.368 1.403 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000159426994 358521053 /nfs/dbraw/zinc/52/10/53/358521053.db2.gz NGWGFHRUMDQZLT-GFCCVEGCSA-N 1 0 273.446 1.864 20 70 CDIDRO CSCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160374431 358601767 /nfs/dbraw/zinc/60/17/67/358601767.db2.gz GPEJPZPBNRRRRG-GFCCVEGCSA-N 1 0 273.446 1.721 20 70 CDIDRO COCCOC[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160849439 358774327 /nfs/dbraw/zinc/77/43/27/358774327.db2.gz DGMCKMFGFSDRFX-AWEZNQCLSA-N 1 0 289.379 1.819 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000161169640 358790050 /nfs/dbraw/zinc/79/00/50/358790050.db2.gz ZYELEWUBVJPSET-SWLSCSKDSA-N 1 0 280.343 1.580 20 70 CDIDRO C[C@H](CC(=O)N(C)C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161109088 360918791 /nfs/dbraw/zinc/91/87/91/360918791.db2.gz WDCMLBUAKFDGGM-SNVBAGLBSA-N 1 0 297.786 1.735 20 70 CDIDRO CCCc1ncc(C(=O)N2CCC[NH2+]CC2)s1 ZINC000160881450 361496614 /nfs/dbraw/zinc/49/66/14/361496614.db2.gz RLPAMBDYICNHKW-UHFFFAOYSA-N 1 0 253.371 1.531 20 70 CDIDRO C[C@@]1(O)CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160441099 363862755 /nfs/dbraw/zinc/86/27/55/363862755.db2.gz GPMVLDOGVFBHAO-IUODEOHRSA-N 1 0 281.400 1.027 20 70 CDIDRO O=C(c1cccnc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159396839 364200426 /nfs/dbraw/zinc/20/04/26/364200426.db2.gz YJABPUFNGYYIDD-CYBMUJFWSA-N 1 0 265.744 1.561 20 70 CDIDRO CC(C)(CNC(=O)[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000159707128 364254034 /nfs/dbraw/zinc/25/40/34/364254034.db2.gz PZYNSJXWPNMGIV-CYBMUJFWSA-N 1 0 280.343 1.208 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccccn2)CC1 ZINC000159528785 364228106 /nfs/dbraw/zinc/22/81/06/364228106.db2.gz DVZGBDWXAWBYFZ-ZDUSSCGKSA-N 1 0 276.384 1.880 20 70 CDIDRO CCc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160228171 364321513 /nfs/dbraw/zinc/32/15/13/364321513.db2.gz QJEDJPBOAICGHL-CQSZACIVSA-N 1 0 274.364 1.772 20 70 CDIDRO CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000160242196 364324260 /nfs/dbraw/zinc/32/42/60/364324260.db2.gz BZLOGLQXHJCSHW-AWEZNQCLSA-N 1 0 278.352 1.964 20 70 CDIDRO COCCOc1ccccc1CN1CCC[C@@H]1C(N)=O ZINC000160356510 364339434 /nfs/dbraw/zinc/33/94/34/364339434.db2.gz KPZFBKJSNFCGMR-CYBMUJFWSA-N 1 0 278.352 1.162 20 70 CDIDRO CCOc1ccc(OCCCC(=O)NCCC[NH3+])cc1 ZINC000160024195 364297904 /nfs/dbraw/zinc/29/79/04/364297904.db2.gz GLQXPYVEYNSMOL-UHFFFAOYSA-N 1 0 280.368 1.709 20 70 CDIDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(F)cc2F)C1 ZINC000160110292 364307612 /nfs/dbraw/zinc/30/76/12/364307612.db2.gz GPWSOSVUSZSXPG-LLVKDONJSA-N 1 0 282.334 1.965 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2cc(OC)ccc2OC)C1 ZINC000160473594 364357023 /nfs/dbraw/zinc/35/70/23/364357023.db2.gz XQICZFGOXHHPSF-ZDUSSCGKSA-N 1 0 292.379 1.457 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000160508780 364364190 /nfs/dbraw/zinc/36/41/90/364364190.db2.gz YGNPAJGCOMWHBT-GXFFZTMASA-N 1 0 266.316 1.334 20 70 CDIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(C)C)CC2)n1 ZINC000160583628 364376727 /nfs/dbraw/zinc/37/67/27/364376727.db2.gz WHCMFMGEWUPNQV-UHFFFAOYSA-N 1 0 278.400 1.518 20 70 CDIDRO Cc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000160605227 364380974 /nfs/dbraw/zinc/38/09/74/364380974.db2.gz SQAFRBMBSKZKMK-NPQIQWPPSA-N 1 0 292.379 1.564 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160414229 364348747 /nfs/dbraw/zinc/34/87/47/364348747.db2.gz WRXUIETUSLWACR-NSHDSACASA-N 1 0 293.392 1.590 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000160990538 364436742 /nfs/dbraw/zinc/43/67/42/364436742.db2.gz LTPHFGROTDCSJP-LLVKDONJSA-N 1 0 252.362 1.639 20 70 CDIDRO CCc1ccccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000160794405 364411008 /nfs/dbraw/zinc/41/10/08/364411008.db2.gz LDJKFTBNKWWAFU-UHFFFAOYSA-N 1 0 289.423 1.616 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000161231538 364467491 /nfs/dbraw/zinc/46/74/91/364467491.db2.gz BOIFBBHBYIXXJY-ZDUSSCGKSA-N 1 0 295.379 1.831 20 70 CDIDRO O=C(N[C@H]1CCCC[C@H]1n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000161217877 284170409 /nfs/dbraw/zinc/17/04/09/284170409.db2.gz LNZWLWLPEAQTJE-FRRDWIJNSA-N 1 0 262.357 1.093 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)[NH3+])[C@H](C)CO1 ZINC000161467223 373756370 /nfs/dbraw/zinc/75/63/70/373756370.db2.gz PLRGZSFEYXQAFO-MBNYWOFBSA-N 1 0 262.353 1.631 20 70 CDIDRO O=C(c1ccc[nH]c1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000217933801 375764189 /nfs/dbraw/zinc/76/41/89/375764189.db2.gz WKEBUTLCFDQSAH-LBPRGKRZSA-N 1 0 275.352 1.488 20 70 CDIDRO C[C@@H]1[C@H](C)N(CCC[NH+]2CCCCC2)CCS1(=O)=O ZINC000161166768 390953934 /nfs/dbraw/zinc/95/39/34/390953934.db2.gz SQJSRLQTMMWHGZ-UONOGXRCSA-N 1 0 288.457 1.370 20 70 CDIDRO C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000217839938 140164458 /nfs/dbraw/zinc/16/44/58/140164458.db2.gz NMCKFVRELAXFRC-GXTWGEPZSA-N 1 0 297.424 1.395 20 70 CDIDRO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000218001937 140164738 /nfs/dbraw/zinc/16/47/38/140164738.db2.gz SPSAFRHANRVYNX-FRRDWIJNSA-N 1 0 253.390 1.911 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000160056371 147707657 /nfs/dbraw/zinc/70/76/57/147707657.db2.gz QDDLFBLEIRSAQV-OAHLLOKOSA-N 1 0 275.396 1.911 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000160222788 147712768 /nfs/dbraw/zinc/71/27/68/147712768.db2.gz CBHKSNGHLCVWBF-BXKDBHETSA-N 1 0 265.357 1.481 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)o1 ZINC000160623231 261220672 /nfs/dbraw/zinc/22/06/72/261220672.db2.gz KZNWBIGTBBIZPP-SNVBAGLBSA-N 1 0 286.759 1.510 20 70 CDIDRO CC[C@@H](C(=O)N[C@@H]1COc2ccc(C)cc21)[NH+](C)C ZINC000161150343 276516197 /nfs/dbraw/zinc/51/61/97/276516197.db2.gz PPVSEDGTMWKOTC-OLZOCXBDSA-N 1 0 262.353 1.885 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000161057952 277281856 /nfs/dbraw/zinc/28/18/56/277281856.db2.gz VFGPOWJDADQTAY-VDDIYKPWSA-N 1 0 270.760 1.879 20 70 CDIDRO OCCCCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000160963383 279876892 /nfs/dbraw/zinc/87/68/92/279876892.db2.gz WHFDNMFHBVSOMJ-UHFFFAOYSA-N 1 0 263.385 1.362 20 70 CDIDRO CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1)[NH+](C)C ZINC000160041387 280077435 /nfs/dbraw/zinc/07/74/35/280077435.db2.gz RMBUYINMDCHDOG-QWHCGFSZSA-N 1 0 250.342 1.176 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000159462835 290079101 /nfs/dbraw/zinc/07/91/01/290079101.db2.gz AKOLGGSNOJLXIW-RYUDHWBXSA-N 1 0 256.390 1.479 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCC2 ZINC000159549641 482704916 /nfs/dbraw/zinc/70/49/16/482704916.db2.gz LMIGHYYNYRGZPQ-ZOBORPQBSA-N 1 0 280.412 1.968 20 70 CDIDRO CCCn1nc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161002431 482851211 /nfs/dbraw/zinc/85/12/11/482851211.db2.gz USDFWZAPUFFYKM-CHWSQXEVSA-N 1 0 278.400 1.910 20 70 CDIDRO CN(C)C(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161283713 482872685 /nfs/dbraw/zinc/87/26/85/482872685.db2.gz LRNHNPSQKKBKAY-KGLIPLIRSA-N 1 0 289.379 1.388 20 70 CDIDRO C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000161455728 482878430 /nfs/dbraw/zinc/87/84/30/482878430.db2.gz WZLXSENOMFSPAB-RQJABVFESA-N 1 0 268.401 1.968 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161509619 482882176 /nfs/dbraw/zinc/88/21/76/482882176.db2.gz MEYJSZAZVUFPIJ-UWVGGRQHSA-N 1 0 262.309 1.415 20 70 CDIDRO CCN1CCC([N@H+](C)CCCn2ccnc2C)CC1 ZINC000161350426 521562611 /nfs/dbraw/zinc/56/26/11/521562611.db2.gz ZIVCASXVVSIKCO-UHFFFAOYSA-N 1 0 264.417 1.998 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC000160763969 522393484 /nfs/dbraw/zinc/39/34/84/522393484.db2.gz RSAWXTTYGMFNBU-GHMZBOCLSA-N 1 0 250.317 1.750 20 70 CDIDRO CN1CCN(CCC[NH+]2CCCCC2)C(C)(C)C1=O ZINC000161408462 523895995 /nfs/dbraw/zinc/89/59/95/523895995.db2.gz VZIWBKPXBICSGB-UHFFFAOYSA-N 1 0 267.417 1.415 20 70 CDIDRO CC(C)[NH+](CCNC(=O)[C@@H]1CCCCO1)C(C)C ZINC000161097620 528905431 /nfs/dbraw/zinc/90/54/31/528905431.db2.gz ZNFPRSSPNYJLOG-ZDUSSCGKSA-N 1 0 256.390 1.791 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000159801546 529030992 /nfs/dbraw/zinc/03/09/92/529030992.db2.gz RPVRXEIYZLARCW-KGLIPLIRSA-N 1 0 283.416 1.681 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000159847172 536698920 /nfs/dbraw/zinc/69/89/20/536698920.db2.gz COOSNMJPFVZONO-LBPRGKRZSA-N 1 0 266.316 1.644 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000159693518 361778915 /nfs/dbraw/zinc/77/89/15/361778915.db2.gz TXAKUPQYUILCIV-KFWWJZLASA-N 1 0 297.443 1.926 20 70 CDIDRO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159867846 361888148 /nfs/dbraw/zinc/88/81/48/361888148.db2.gz ZDBLPJCWEFKFTJ-OLZOCXBDSA-N 1 0 294.399 1.068 20 70 CDIDRO Cc1ccc(F)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159957888 361970892 /nfs/dbraw/zinc/97/08/92/361970892.db2.gz INRRTHWIBRMHDO-GFCCVEGCSA-N 1 0 286.372 1.492 20 70 CDIDRO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159629889 342367699 /nfs/dbraw/zinc/36/76/99/342367699.db2.gz IZXXOWJAPLGZGU-KBPBESRZSA-N 1 0 296.411 1.710 20 70 CDIDRO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217938146 536898678 /nfs/dbraw/zinc/89/86/78/536898678.db2.gz ZLGOBLVITBOWLC-OUCADQQQSA-N 1 0 263.385 1.909 20 70 CDIDRO CC[C@H]1CCCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159371519 362316071 /nfs/dbraw/zinc/31/60/71/362316071.db2.gz QAFVEMYRLPFZAF-KBPBESRZSA-N 1 0 268.401 1.936 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCc1cn2c(n1)CCCC2 ZINC000161270872 362364548 /nfs/dbraw/zinc/36/45/48/362364548.db2.gz NALFFOXWHQSVSO-UHFFFAOYSA-N 1 0 292.427 1.643 20 70 CDIDRO C[C@H](C(=O)NCC(F)(F)F)N1CCC([C@H](C)[NH3+])CC1 ZINC000159866744 362376543 /nfs/dbraw/zinc/37/65/43/362376543.db2.gz DPHSJEGIPOXNEK-DTWKUNHWSA-N 1 0 281.322 1.113 20 70 CDIDRO COc1cc(CN2CCC[C@H]([NH3+])C2)cc2c1OCO2 ZINC000159978160 362384094 /nfs/dbraw/zinc/38/40/94/362384094.db2.gz CAMRRSWSLNMSJN-NSHDSACASA-N 1 0 264.325 1.347 20 70 CDIDRO CC(=O)c1cccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160032203 362387951 /nfs/dbraw/zinc/38/79/51/362387951.db2.gz KGERMUJSLKSFBW-OAHLLOKOSA-N 1 0 289.379 1.497 20 70 CDIDRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCN1C1CC1 ZINC000160488129 362431922 /nfs/dbraw/zinc/43/19/22/362431922.db2.gz PNHNFQFPSLANOW-BJJXKVORSA-N 1 0 278.396 1.377 20 70 CDIDRO Cc1nccc(C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159682188 362489642 /nfs/dbraw/zinc/48/96/42/362489642.db2.gz CXJHGBIEZQYXQY-UHFFFAOYSA-N 1 0 276.384 1.827 20 70 CDIDRO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159843368 362543233 /nfs/dbraw/zinc/54/32/33/362543233.db2.gz IXMVTVIMDNGKTC-TZMCWYRMSA-N 1 0 262.353 1.144 20 70 CDIDRO CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1O)[NH+]1CCCCC1 ZINC000161278269 365969820 /nfs/dbraw/zinc/96/98/20/365969820.db2.gz IRNZBHOGIAWRKI-MELADBBJSA-N 1 0 268.401 1.527 20 70 CDIDRO C[C@@H]1CC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000159732943 363251262 /nfs/dbraw/zinc/25/12/62/363251262.db2.gz OUYADQWAMWXUOY-UPJWGTAASA-N 1 0 295.427 1.726 20 70 CDIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000161100651 363266380 /nfs/dbraw/zinc/26/63/80/363266380.db2.gz IDBGWMBVYGWQFJ-VHDGCEQUSA-N 1 0 276.380 1.926 20 70 CDIDRO C[C@@H]1C[C@H](NC(=O)NCc2ncccc2F)C[N@@H+]1C1CC1 ZINC000160004778 363570272 /nfs/dbraw/zinc/57/02/72/363570272.db2.gz WNHUYXNZAAWYIZ-MNOVXSKESA-N 1 0 292.358 1.645 20 70 CDIDRO CNC(=O)[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161420644 358801976 /nfs/dbraw/zinc/80/19/76/358801976.db2.gz MWXWGAAGIKFVEU-CQSZACIVSA-N 1 0 267.417 1.463 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)NCc1cc(=O)[nH]c2ccccc12 ZINC000161048743 237188928 /nfs/dbraw/zinc/18/89/28/237188928.db2.gz REVDYRDUQMQDQD-GFCCVEGCSA-N 1 0 285.347 1.286 20 70 CDIDRO CN1C(=O)CC[C@H]([NH2+]Cc2coc3ccccc23)C1=O ZINC000161107720 360916851 /nfs/dbraw/zinc/91/68/51/360916851.db2.gz HGSZLMIUWSNSBB-LBPRGKRZSA-N 1 0 272.304 1.670 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)C2(CCOC)CC2)CC1 ZINC000160378948 363837026 /nfs/dbraw/zinc/83/70/26/363837026.db2.gz YGQRUBZJUMQNTH-UHFFFAOYSA-N 1 0 284.400 1.030 20 70 CDIDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@]2(O)CCSC2)c1 ZINC000159402114 364200390 /nfs/dbraw/zinc/20/03/90/364200390.db2.gz STHVMXMSLXKFKM-OAHLLOKOSA-N 1 0 294.420 1.863 20 70 CDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000159567859 364234441 /nfs/dbraw/zinc/23/44/41/364234441.db2.gz VKXHTEJATFWNDF-SNVBAGLBSA-N 1 0 294.399 1.788 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCn2cccn2)CC1 ZINC000159594656 364239143 /nfs/dbraw/zinc/23/91/43/364239143.db2.gz DLXKGIDXOZSHED-UHFFFAOYSA-N 1 0 279.388 1.010 20 70 CDIDRO C[C@@H]1C[NH+](CCCNC(=O)c2cccc(F)n2)C[C@@H](C)O1 ZINC000159538872 364230840 /nfs/dbraw/zinc/23/08/40/364230840.db2.gz ICQGOBOPMCOTFE-VXGBXAGGSA-N 1 0 295.358 1.450 20 70 CDIDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnccn1 ZINC000160210232 364320099 /nfs/dbraw/zinc/32/00/99/364320099.db2.gz CQMHRNCQHZCJGH-ZDUSSCGKSA-N 1 0 277.416 1.153 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 ZINC000160645484 364388445 /nfs/dbraw/zinc/38/84/45/364388445.db2.gz OTWKXLQMJTUASV-ZDUSSCGKSA-N 1 0 288.395 1.506 20 70 CDIDRO CCn1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628869 368113728 /nfs/dbraw/zinc/11/37/28/368113728.db2.gz BZXMILLGQHEMPA-IHRRRGAJSA-N 1 0 261.369 1.950 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000161433933 373742723 /nfs/dbraw/zinc/74/27/23/373742723.db2.gz YFQWGFWATGQXRH-WOPDTQHZSA-N 1 0 254.399 1.483 20 70 CDIDRO COCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000161479929 377685388 /nfs/dbraw/zinc/68/53/88/377685388.db2.gz MMAZWOLHTYQRGH-CYBMUJFWSA-N 1 0 270.417 1.896 20 70 CDIDRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160310827 139910660 /nfs/dbraw/zinc/91/06/60/139910660.db2.gz MXYMEOUCNXCVHT-JOYOIKCWSA-N 1 0 295.770 1.018 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(C(N)=O)cc1 ZINC000217398034 140163327 /nfs/dbraw/zinc/16/33/27/140163327.db2.gz DQCRVEKHDJOTQR-LBPRGKRZSA-N 1 0 263.385 1.605 20 70 CDIDRO O=C(NC[C@@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000159727626 147702067 /nfs/dbraw/zinc/70/20/67/147702067.db2.gz JEVYKDXXOMQHML-AWEZNQCLSA-N 1 0 258.365 1.832 20 70 CDIDRO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1C[NH3+])CO2 ZINC000160285262 277959802 /nfs/dbraw/zinc/95/98/02/277959802.db2.gz MHXUBRFSQKZFLW-OLZOCXBDSA-N 1 0 290.363 1.196 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161245143 278304196 /nfs/dbraw/zinc/30/41/96/278304196.db2.gz HWCLCLXFSSFXBM-CKYFFXLPSA-N 1 0 250.317 1.877 20 70 CDIDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000216701035 280088119 /nfs/dbraw/zinc/08/81/19/280088119.db2.gz AXACYFLSLLGCSK-XQRVVYSFSA-N 1 0 262.309 1.106 20 70 CDIDRO O=C(/C=C/c1c(Cl)nc2ccccn21)N1CC[NH2+]CC1 ZINC000159365785 292756946 /nfs/dbraw/zinc/75/69/46/292756946.db2.gz SUZKURRVQXGZMG-SNAWJCMRSA-N 1 0 290.754 1.433 20 70 CDIDRO Cc1noc(Cl)c1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159379064 292757750 /nfs/dbraw/zinc/75/77/50/292757750.db2.gz ITLZEJHIJIBHEN-UHFFFAOYSA-N 1 0 297.786 1.922 20 70 CDIDRO C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161127985 482862841 /nfs/dbraw/zinc/86/28/41/482862841.db2.gz UKEDGATXFSESAT-GARJFASQSA-N 1 0 295.408 1.253 20 70 CDIDRO Cc1cccc(OC[C@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160198899 483062306 /nfs/dbraw/zinc/06/23/06/483062306.db2.gz UZNSDNKQLJCNQC-CQSZACIVSA-N 1 0 267.369 1.749 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612843 522039111 /nfs/dbraw/zinc/03/91/11/522039111.db2.gz XTUHSQYGYXOUDX-ZNMIVQPWSA-N 1 0 295.427 1.680 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000161188512 524825017 /nfs/dbraw/zinc/82/50/17/524825017.db2.gz LZGOIDVPFUBZDU-IMTBSYHQSA-N 1 0 264.222 1.893 20 70 CDIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@@H]1CCOC1 ZINC000161141874 525443324 /nfs/dbraw/zinc/44/33/24/525443324.db2.gz FNERKDQNSQLUKI-ZIAGYGMSSA-N 1 0 292.427 1.952 20 70 CDIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1OCCO ZINC000159809662 526700753 /nfs/dbraw/zinc/70/07/53/526700753.db2.gz RKHBYQWWVJYIOP-CYBMUJFWSA-N 1 0 280.368 1.047 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cccc(C)c2)CCOC1 ZINC000160314189 342072965 /nfs/dbraw/zinc/07/29/65/342072965.db2.gz TWQXSAGIJSDMRE-GOEBONIOSA-N 1 0 295.379 1.130 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(C2CC2)n1 ZINC000160176415 362045353 /nfs/dbraw/zinc/04/53/53/362045353.db2.gz SQMZTDIWNNOROK-SECBINFHSA-N 1 0 251.355 1.584 20 70 CDIDRO COC(=O)c1ccc(CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159744398 362361526 /nfs/dbraw/zinc/36/15/26/362361526.db2.gz ARCJBXFIJPGQFQ-AWEZNQCLSA-N 1 0 262.353 1.642 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000161341186 362787019 /nfs/dbraw/zinc/78/70/19/362787019.db2.gz DSQPRMFILCZORL-SNVBAGLBSA-N 1 0 264.373 1.531 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000159965359 188449646 /nfs/dbraw/zinc/44/96/46/188449646.db2.gz SKUBGGVXCIWMGE-KCJUWKMLSA-N 1 0 284.331 1.757 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Sc1ccccc1 ZINC000161117812 188509390 /nfs/dbraw/zinc/50/93/90/188509390.db2.gz FWXMEFICUFMAIU-MDZLAQPJSA-N 1 0 280.393 1.006 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000161134247 188510437 /nfs/dbraw/zinc/51/04/37/188510437.db2.gz UJQNBYWSBNHFOI-UHFFFAOYSA-N 1 0 291.395 1.453 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(COC)c1 ZINC000161368005 188523755 /nfs/dbraw/zinc/52/37/55/188523755.db2.gz DWWHBHKHEZQCSB-CQSZACIVSA-N 1 0 262.353 1.657 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000159832578 363364902 /nfs/dbraw/zinc/36/49/02/363364902.db2.gz SANSSOAHGXPBHD-ZDUSSCGKSA-N 1 0 298.408 1.686 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)SC ZINC000159963632 363521130 /nfs/dbraw/zinc/52/11/30/363521130.db2.gz OGSWCBNPWVHVOE-LLVKDONJSA-N 1 0 261.435 1.769 20 70 CDIDRO C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Oc1ccccc1F ZINC000161164343 358789813 /nfs/dbraw/zinc/78/98/13/358789813.db2.gz QQENDWVNYQJGQN-YGRLFVJLSA-N 1 0 284.306 1.411 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161068062 237190291 /nfs/dbraw/zinc/19/02/91/237190291.db2.gz QKVAMQCTUWLAPJ-HZSPNIEDSA-N 1 0 266.385 1.450 20 70 CDIDRO Cc1ccc(N2CCC[C@H]([N@@H+](C)C[C@@H](C)O)C2=O)cc1 ZINC000159567449 364235283 /nfs/dbraw/zinc/23/52/83/364235283.db2.gz IVQWBSYJBBULNG-HIFRSBDPSA-N 1 0 276.380 1.803 20 70 CDIDRO COC1(C(=O)NC[C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000159660912 364247206 /nfs/dbraw/zinc/24/72/06/364247206.db2.gz YOUQFUJGWSLXKM-AWEZNQCLSA-N 1 0 290.407 1.983 20 70 CDIDRO C[N@H+](C[C@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccccc1 ZINC000159705070 364254149 /nfs/dbraw/zinc/25/41/49/364254149.db2.gz VGIRRFUPTAIHPX-RDBSUJKOSA-N 1 0 262.353 1.306 20 70 CDIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1O ZINC000159765349 364261861 /nfs/dbraw/zinc/26/18/61/364261861.db2.gz WMXKDWZTOOXZDP-UHFFFAOYSA-N 1 0 278.352 1.488 20 70 CDIDRO CN(CC(=O)c1cccn1C)C[C@H]1CCC[C@@H]1O ZINC000159785915 364265405 /nfs/dbraw/zinc/26/54/05/364265405.db2.gz FGGYTOGHTPVTSB-YPMHNXCESA-N 1 0 250.342 1.301 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000159802104 364266834 /nfs/dbraw/zinc/26/68/34/364266834.db2.gz ALSJLFAIXAMHBA-ZYHUDNBSSA-N 1 0 250.317 1.750 20 70 CDIDRO CCCN(CC(=O)NCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000160001366 364292335 /nfs/dbraw/zinc/29/23/35/364292335.db2.gz BTUPCMPFAQMMKX-CYBMUJFWSA-N 1 0 291.395 1.862 20 70 CDIDRO [NH3+]CCCNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000160065049 364302414 /nfs/dbraw/zinc/30/24/14/364302414.db2.gz WFLGSORKOGFSDG-UHFFFAOYSA-N 1 0 270.279 1.393 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)[NH+](C)C ZINC000160370466 364342345 /nfs/dbraw/zinc/34/23/45/364342345.db2.gz NZHQXVYPFBRLSD-ZDUSSCGKSA-N 1 0 277.368 1.667 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000160509063 364364868 /nfs/dbraw/zinc/36/48/68/364364868.db2.gz YGNPAJGCOMWHBT-GWCFXTLKSA-N 1 0 266.316 1.334 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCCc1ccc(Cl)nc1 ZINC000160535193 364367258 /nfs/dbraw/zinc/36/72/58/364367258.db2.gz OQLHDFPLNFBHHI-SNVBAGLBSA-N 1 0 287.816 1.474 20 70 CDIDRO COC(CN1CCO[C@@H](c2ccccc2)C1)OC ZINC000160534134 364367692 /nfs/dbraw/zinc/36/76/92/364367692.db2.gz JUDWHMVODFFERX-CYBMUJFWSA-N 1 0 251.326 1.679 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000160686601 364394287 /nfs/dbraw/zinc/39/42/87/364394287.db2.gz OPVGUGXNNPUTTR-UHTWSYAYSA-N 1 0 280.318 1.889 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C)C1 ZINC000160697183 364396613 /nfs/dbraw/zinc/39/66/13/364396613.db2.gz YZNKWSOXEVPXOS-CYBMUJFWSA-N 1 0 284.363 1.615 20 70 CDIDRO CC[C@@H](C(=O)NCc1ccc(C)c(OC)c1)[NH+](C)C ZINC000161497157 364502820 /nfs/dbraw/zinc/50/28/20/364502820.db2.gz LYUIGYJTWQXECD-ZDUSSCGKSA-N 1 0 264.369 1.960 20 70 CDIDRO CC1(O)CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000161202222 364462034 /nfs/dbraw/zinc/46/20/34/364462034.db2.gz ZRVGVYMCSILADA-UHFFFAOYSA-N 1 0 294.420 1.480 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cscn1 ZINC000218759151 284059762 /nfs/dbraw/zinc/05/97/62/284059762.db2.gz XHXVOMHDLPFFGX-KOLCDFICSA-N 1 0 251.355 1.500 20 70 CDIDRO O=C(NCCOC1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000160088290 377003353 /nfs/dbraw/zinc/00/33/53/377003353.db2.gz VQQCLEIHLMHFSM-ZDUSSCGKSA-N 1 0 268.401 1.842 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(F)c1 ZINC000160561071 377087009 /nfs/dbraw/zinc/08/70/09/377087009.db2.gz ZJEKGZQENMITIU-UHFFFAOYSA-N 1 0 280.343 1.260 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000160371456 390978995 /nfs/dbraw/zinc/97/89/95/390978995.db2.gz RQCWRDBEHGIXPF-SECBINFHSA-N 1 0 282.727 1.632 20 70 CDIDRO COC(C)(C)C[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000160969040 292068286 /nfs/dbraw/zinc/06/82/86/292068286.db2.gz FFXIWMHLWBERGV-NSHDSACASA-N 1 0 272.389 1.075 20 70 CDIDRO COC(C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)OC ZINC000161182460 292079161 /nfs/dbraw/zinc/07/91/61/292079161.db2.gz XUVWTTLCBQLBQC-GFCCVEGCSA-N 1 0 290.367 1.528 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161096386 274234572 /nfs/dbraw/zinc/23/45/72/274234572.db2.gz JFNJVOBFRSCYKY-IGJMFERPSA-N 1 0 250.317 1.913 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000159836584 278304214 /nfs/dbraw/zinc/30/42/14/278304214.db2.gz XPRIDRFWKZHZEQ-GIPNMCIBSA-N 1 0 282.771 1.976 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000217288540 280088481 /nfs/dbraw/zinc/08/84/81/280088481.db2.gz VMLDUTPEDIGQAZ-CYBMUJFWSA-N 1 0 298.431 1.027 20 70 CDIDRO CCCn1nccc1C[NH2+][C@H](C)CN1CCCC1=O ZINC000160102691 482783003 /nfs/dbraw/zinc/78/30/03/482783003.db2.gz AYURJIWCNAGTIF-GFCCVEGCSA-N 1 0 264.373 1.394 20 70 CDIDRO Cc1sc(=O)n(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161011594 482852986 /nfs/dbraw/zinc/85/29/86/482852986.db2.gz ZTNGACDBNKYQDN-VXGBXAGGSA-N 1 0 297.424 1.303 20 70 CDIDRO CCC(CC)N1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161090142 482859353 /nfs/dbraw/zinc/85/93/53/482859353.db2.gz YHOFYMRFLKEUEM-FRRDWIJNSA-N 1 0 295.427 1.410 20 70 CDIDRO CC(C)(C(N)=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161442493 518546800 /nfs/dbraw/zinc/54/68/00/518546800.db2.gz YNEBGDARIMGBHR-NSHDSACASA-N 1 0 289.379 1.388 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000161233178 519645336 /nfs/dbraw/zinc/64/53/36/519645336.db2.gz YRVSYTUBWQBCLJ-GPANFISMSA-N 1 0 298.427 1.609 20 70 CDIDRO COC(=O)C[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161398099 523354081 /nfs/dbraw/zinc/35/40/81/523354081.db2.gz ZRMUYSOSLIAVNT-AWEZNQCLSA-N 1 0 284.400 1.126 20 70 CDIDRO CCc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160719286 523890068 /nfs/dbraw/zinc/89/00/68/523890068.db2.gz ICPBSIZOZNQHOR-UHFFFAOYSA-N 1 0 290.407 1.683 20 70 CDIDRO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000161021592 526971572 /nfs/dbraw/zinc/97/15/72/526971572.db2.gz FWMCIMIGUSWWFT-GIPNMCIBSA-N 1 0 280.318 1.937 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](COC)C1CC1 ZINC000160328686 529078550 /nfs/dbraw/zinc/07/85/50/529078550.db2.gz CEHCQRILZNSAGQ-OLZOCXBDSA-N 1 0 269.389 1.195 20 70 CDIDRO CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160536679 529242162 /nfs/dbraw/zinc/24/21/62/529242162.db2.gz AKXNCISKFUEZIR-DGCLKSJQSA-N 1 0 254.374 1.545 20 70 CDIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCOC1 ZINC000159547007 361734849 /nfs/dbraw/zinc/73/48/49/361734849.db2.gz FFANSCBAYFVCRT-AWEZNQCLSA-N 1 0 282.428 1.992 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)CC2 ZINC000160405674 282127354 /nfs/dbraw/zinc/12/73/54/282127354.db2.gz RFBPGUBUTABSFS-ZWNOBZJWSA-N 1 0 286.383 1.659 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160926617 361871225 /nfs/dbraw/zinc/87/12/25/361871225.db2.gz GZZWBCDEYSXONE-TZMCWYRMSA-N 1 0 289.379 1.072 20 70 CDIDRO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@H](O)C1CC1 ZINC000160809394 539116745 /nfs/dbraw/zinc/11/67/45/539116745.db2.gz CXURFICEEHITJV-LRDDRELGSA-N 1 0 288.391 1.667 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC000159464543 342366650 /nfs/dbraw/zinc/36/66/50/342366650.db2.gz MPQQIZKOLHLCAE-NSHDSACASA-N 1 0 272.352 1.635 20 70 CDIDRO COCC[N@H+](CCCS(=O)(=O)C(C)C)CC(C)C ZINC000160791942 362175069 /nfs/dbraw/zinc/17/50/69/362175069.db2.gz RPIRQBRJGSHBJE-UHFFFAOYSA-N 1 0 279.446 1.804 20 70 CDIDRO Cn1cnnc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000160859246 362189211 /nfs/dbraw/zinc/18/92/11/362189211.db2.gz UBCBTQSNFXBXRS-UHFFFAOYSA-N 1 0 277.416 1.513 20 70 CDIDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1O ZINC000159471117 362325338 /nfs/dbraw/zinc/32/53/38/362325338.db2.gz SOVBMHYOTMAJCC-OCCSQVGLSA-N 1 0 262.353 1.006 20 70 CDIDRO Brc1cncc(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000160564997 362446496 /nfs/dbraw/zinc/44/64/96/362446496.db2.gz LUZSOCPQERMHPJ-VIFPVBQESA-N 1 0 271.158 1.970 20 70 CDIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)O ZINC000160619090 362456333 /nfs/dbraw/zinc/45/63/33/362456333.db2.gz PAEKVYXQVJSRLJ-QMMMGPOBSA-N 1 0 276.178 1.395 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000161331352 530002262 /nfs/dbraw/zinc/00/22/62/530002262.db2.gz OMBJWRADJQXTOQ-CYBMUJFWSA-N 1 0 290.363 1.211 20 70 CDIDRO CCc1ncc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160546465 362474995 /nfs/dbraw/zinc/47/49/95/362474995.db2.gz KMWPZAAOYQRQNC-LLVKDONJSA-N 1 0 297.424 1.282 20 70 CDIDRO C[C@H](C[NH3+])NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000217084989 344835043 /nfs/dbraw/zinc/83/50/43/344835043.db2.gz JQKLSFZEHULDJF-GLFGPFBSSA-N 1 0 251.374 1.458 20 70 CDIDRO CCCCCN(CCO)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160626659 346182327 /nfs/dbraw/zinc/18/23/27/346182327.db2.gz IRNNTDOCXUTFOL-HNNXBMFYSA-N 1 0 297.443 1.665 20 70 CDIDRO C[NH2+]CC(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000161398969 362934482 /nfs/dbraw/zinc/93/44/82/362934482.db2.gz AGDOJPWSUNMGRK-VIFPVBQESA-N 1 0 256.733 1.443 20 70 CDIDRO C[C@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160012064 188451020 /nfs/dbraw/zinc/45/10/20/188451020.db2.gz JGUVOQSXMNOEMZ-VIFPVBQESA-N 1 0 270.760 1.961 20 70 CDIDRO CCO[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000160487169 188476450 /nfs/dbraw/zinc/47/64/50/188476450.db2.gz QGIBAQGZPPZCSS-KBPBESRZSA-N 1 0 262.353 1.585 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)N(C)CC1CCOCC1 ZINC000159793619 363321121 /nfs/dbraw/zinc/32/11/21/363321121.db2.gz HGBBVYCSHFJPKV-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO C[C@H]1C[C@@H](NC(=O)NCc2ncccc2F)C[N@@H+]1C1CC1 ZINC000160005183 363569591 /nfs/dbraw/zinc/56/95/91/363569591.db2.gz WNHUYXNZAAWYIZ-WDEREUQCSA-N 1 0 292.358 1.645 20 70 CDIDRO Cc1cccc(C)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000160384337 538848595 /nfs/dbraw/zinc/84/85/95/538848595.db2.gz GTRXTTTXRRLMPZ-UHFFFAOYSA-N 1 0 284.425 1.721 20 70 CDIDRO COC(=O)c1ccc(C[NH2+]CCC(=O)NC(C)C)o1 ZINC000159379482 359131349 /nfs/dbraw/zinc/13/13/49/359131349.db2.gz FDJTUCYFVHKLEW-UHFFFAOYSA-N 1 0 268.313 1.071 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000160128826 283472824 /nfs/dbraw/zinc/47/28/24/283472824.db2.gz NPOKZKXAFWCZPU-NSHDSACASA-N 1 0 271.320 1.091 20 70 CDIDRO CC(=O)NCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000217409211 360460521 /nfs/dbraw/zinc/46/05/21/360460521.db2.gz GDVXIPDCYONJAP-UHFFFAOYSA-N 1 0 298.818 1.730 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000160680973 360724994 /nfs/dbraw/zinc/72/49/94/360724994.db2.gz BJHXTOCKGUTCBD-AWEZNQCLSA-N 1 0 279.432 1.770 20 70 CDIDRO C[C@@H](CNS(=O)(=O)c1ccc(N)cc1)[NH+]1CCCC1 ZINC000160744491 360866518 /nfs/dbraw/zinc/86/65/18/360866518.db2.gz VGHSZCPYBYULNV-NSHDSACASA-N 1 0 283.397 1.031 20 70 CDIDRO Cc1nc(CC(C)C)c(C(=O)N2CC[C@@H]([NH3+])C2)s1 ZINC000160324406 361474753 /nfs/dbraw/zinc/47/47/53/361474753.db2.gz RSHLWYYEYZKZMI-SNVBAGLBSA-N 1 0 267.398 1.823 20 70 CDIDRO CO[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161337858 482875225 /nfs/dbraw/zinc/87/52/25/482875225.db2.gz PKOWMKRHTDCSAY-MJBXVCDLSA-N 1 0 262.353 1.760 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C)cs2)CC1 ZINC000159571591 364236610 /nfs/dbraw/zinc/23/66/10/364236610.db2.gz OPIPYKNWOYFOMF-UHFFFAOYSA-N 1 0 282.413 1.689 20 70 CDIDRO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159829763 364272146 /nfs/dbraw/zinc/27/21/46/364272146.db2.gz ADHSMDYJSGWAPZ-LBPRGKRZSA-N 1 0 275.396 1.852 20 70 CDIDRO C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525196 364226507 /nfs/dbraw/zinc/22/65/07/364226507.db2.gz PDWUYYWJRGKTNT-IAGOWNOFSA-N 1 0 276.424 1.864 20 70 CDIDRO O=C(NCC[NH+]1CCCCC1)[C@@H](O)c1ccccc1 ZINC000159536576 364228226 /nfs/dbraw/zinc/22/82/26/364228226.db2.gz PQLYMHXQXKSPFL-AWEZNQCLSA-N 1 0 262.353 1.322 20 70 CDIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC)nn1 ZINC000160246211 364325259 /nfs/dbraw/zinc/32/52/59/364325259.db2.gz JAFUKPBQCVTNEP-LBPRGKRZSA-N 1 0 292.383 1.480 20 70 CDIDRO Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160268853 364328242 /nfs/dbraw/zinc/32/82/42/364328242.db2.gz UCHWJKXYMXDGRS-AWEZNQCLSA-N 1 0 274.364 1.908 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160007050 364291821 /nfs/dbraw/zinc/29/18/21/364291821.db2.gz HCTVXSRUFDKFSU-IUCAKERBSA-N 1 0 268.307 1.922 20 70 CDIDRO [NH3+]CCCNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160027847 364297561 /nfs/dbraw/zinc/29/75/61/364297561.db2.gz NGSKSEQFWDVIAI-CQSZACIVSA-N 1 0 278.352 1.323 20 70 CDIDRO Cn1cc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160074187 364304406 /nfs/dbraw/zinc/30/44/06/364304406.db2.gz TVNIOHKDUWQHMB-GFCCVEGCSA-N 1 0 299.802 1.255 20 70 CDIDRO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000160108051 364307550 /nfs/dbraw/zinc/30/75/50/364307550.db2.gz KLHPOGFJTNBKNR-NSHDSACASA-N 1 0 279.359 1.573 20 70 CDIDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC(C)(C)O ZINC000160583380 364377529 /nfs/dbraw/zinc/37/75/29/364377529.db2.gz SFFTYTQINVUROE-JTQLQIEISA-N 1 0 268.332 1.903 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cncs1)CC2 ZINC000160402044 364347546 /nfs/dbraw/zinc/34/75/46/364347546.db2.gz MFVOZIQKSQCMQT-SCZZXKLOSA-N 1 0 263.370 1.709 20 70 CDIDRO CC(C)c1ccc(C(=O)NCCN2CC[NH+](C)CC2)cn1 ZINC000161176596 364460036 /nfs/dbraw/zinc/46/00/36/364460036.db2.gz AHYMYNGDJQTAKW-UHFFFAOYSA-N 1 0 290.411 1.182 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000160797591 364410319 /nfs/dbraw/zinc/41/03/19/364410319.db2.gz BEZHUTNOLNXISO-GFCCVEGCSA-N 1 0 270.336 1.306 20 70 CDIDRO C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)Oc1ccccc1 ZINC000161465803 364498653 /nfs/dbraw/zinc/49/86/53/364498653.db2.gz OKQMOSJXIPAAGN-BBRMVZONSA-N 1 0 276.380 1.960 20 70 CDIDRO CCN(CC[NH2+]Cc1cncn1C)C(=O)OC(C)(C)C ZINC000218184243 367261035 /nfs/dbraw/zinc/26/10/35/367261035.db2.gz CCFVQISNLKADNS-UHFFFAOYSA-N 1 0 282.388 1.767 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000161160439 367352587 /nfs/dbraw/zinc/35/25/87/367352587.db2.gz HBJYTSYHPKSTFD-ZDUSSCGKSA-N 1 0 272.352 1.087 20 70 CDIDRO COCC[NH2+]CC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000161425052 372797635 /nfs/dbraw/zinc/79/76/35/372797635.db2.gz KMGOHHSVZAHXLW-HIFRSBDPSA-N 1 0 276.380 1.627 20 70 CDIDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160310925 377057331 /nfs/dbraw/zinc/05/73/31/377057331.db2.gz MXYMEOUCNXCVHT-BXKDBHETSA-N 1 0 295.770 1.018 20 70 CDIDRO Cc1ccn(-c2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000161400192 377224410 /nfs/dbraw/zinc/22/44/10/377224410.db2.gz OTSSXWSIDINSPF-INIZCTEOSA-N 1 0 298.390 1.891 20 70 CDIDRO CSC1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000161211534 533504896 /nfs/dbraw/zinc/50/48/96/533504896.db2.gz JKNYRHPNIYHWOW-MNOVXSKESA-N 1 0 272.414 1.142 20 70 CDIDRO CO[C@H]1CCN(C(=O)CCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000161139555 139911656 /nfs/dbraw/zinc/91/16/56/139911656.db2.gz IQMKAIXQMAUCPX-KGLIPLIRSA-N 1 0 268.401 1.922 20 70 CDIDRO CN(CC(=O)NCCCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000160047994 147707085 /nfs/dbraw/zinc/70/70/85/147707085.db2.gz KPGFABVVRINWBU-INIZCTEOSA-N 1 0 289.423 1.405 20 70 CDIDRO C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Sc1ccccc1 ZINC000161120982 286874595 /nfs/dbraw/zinc/87/45/95/286874595.db2.gz CJKQTGSGPKMGQK-FZMZJTMJSA-N 1 0 282.384 1.985 20 70 CDIDRO COCCOc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000160871677 292604519 /nfs/dbraw/zinc/60/45/19/292604519.db2.gz CUABUVBJRLRPQE-UHFFFAOYSA-N 1 0 278.352 1.147 20 70 CDIDRO CC(C)C[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000161476757 275599256 /nfs/dbraw/zinc/59/92/56/275599256.db2.gz AZWOAQIRDHCZQU-OCCSQVGLSA-N 1 0 256.365 1.973 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000161137132 277339970 /nfs/dbraw/zinc/33/99/70/277339970.db2.gz WRZRYDSVKFBBEH-OLZOCXBDSA-N 1 0 282.771 1.918 20 70 CDIDRO CC(C)CCO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160468099 277358338 /nfs/dbraw/zinc/35/83/38/277358338.db2.gz DEMXZXAMRGZOJY-MCIONIFRSA-N 1 0 268.401 1.791 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCN2CCC(C)CC2)CC1 ZINC000161290438 278088501 /nfs/dbraw/zinc/08/85/01/278088501.db2.gz AHIXCYZQXCHBSP-UHFFFAOYSA-N 1 0 281.444 1.755 20 70 CDIDRO CCc1cc(=O)[nH]c(CN(C)C2CC[NH+](CC)CC2)n1 ZINC000160658910 279875643 /nfs/dbraw/zinc/87/56/43/279875643.db2.gz WHKOVBCUQYYQDH-UHFFFAOYSA-N 1 0 278.400 1.661 20 70 CDIDRO C[C@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCCC1 ZINC000159663836 292764410 /nfs/dbraw/zinc/76/44/10/292764410.db2.gz VQSOLAYIVCLKSC-GFCCVEGCSA-N 1 0 294.374 1.752 20 70 CDIDRO CO[C@@]1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCOC1 ZINC000160085146 292777068 /nfs/dbraw/zinc/77/70/68/292777068.db2.gz CGUAHXWDJZUYNR-CQSZACIVSA-N 1 0 288.388 1.296 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000160847119 482832746 /nfs/dbraw/zinc/83/27/46/482832746.db2.gz JTPNKKOERKUMBC-QWHCGFSZSA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCNC(=O)c2cccs2)C1 ZINC000160918080 482840938 /nfs/dbraw/zinc/84/09/38/482840938.db2.gz PHUXRTOYWLFXBP-QWRGUYRKSA-N 1 0 295.408 1.254 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160946615 482844049 /nfs/dbraw/zinc/84/40/49/482844049.db2.gz CPCXMEJQWMRBBX-UONOGXRCSA-N 1 0 290.363 1.654 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000161506090 482881058 /nfs/dbraw/zinc/88/10/58/482881058.db2.gz XQVIUXQSBKBFIW-JQWIXIFHSA-N 1 0 261.325 1.011 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)COCC(F)(F)F)CC1 ZINC000161021664 519914833 /nfs/dbraw/zinc/91/48/33/519914833.db2.gz WQZFXQGCUGWPIU-UHFFFAOYSA-N 1 0 282.306 1.413 20 70 CDIDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778171 522619476 /nfs/dbraw/zinc/61/94/76/522619476.db2.gz NOPKNWOEAQCSLD-MELADBBJSA-N 1 0 262.353 1.760 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161497706 522825981 /nfs/dbraw/zinc/82/59/81/522825981.db2.gz ISHWQQQLXNHVOC-CQSZACIVSA-N 1 0 298.314 1.353 20 70 CDIDRO NC(=O)C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160931334 526907985 /nfs/dbraw/zinc/90/79/85/526907985.db2.gz JVZQCMCQGXGKJU-GFCCVEGCSA-N 1 0 272.352 1.422 20 70 CDIDRO CCO[C@H]1C[C@H](N(C)C(=O)C(C)(C)C[NH3+])C1(C)C ZINC000160501603 528127639 /nfs/dbraw/zinc/12/76/39/528127639.db2.gz WDOJZEGMQDBZJZ-QWRGUYRKSA-N 1 0 256.390 1.633 20 70 CDIDRO CCCCn1ncc(C(=O)NC2CC[NH+](C)CC2)c1C ZINC000161075993 529092727 /nfs/dbraw/zinc/09/27/27/529092727.db2.gz OFGKQVCKDXVEKP-UHFFFAOYSA-N 1 0 278.400 1.816 20 70 CDIDRO CCCN(CCO)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160927737 260160873 /nfs/dbraw/zinc/16/08/73/260160873.db2.gz PMRKBXRVDDPREX-HNNXBMFYSA-N 1 0 299.459 1.911 20 70 CDIDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159589952 361738063 /nfs/dbraw/zinc/73/80/63/361738063.db2.gz LWTLUCYZHLGARK-OLZOCXBDSA-N 1 0 269.389 1.195 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161221756 361930531 /nfs/dbraw/zinc/93/05/31/361930531.db2.gz SVZNRESMFHSBAD-TZMCWYRMSA-N 1 0 266.385 1.546 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCCOC1CCCCCC1 ZINC000160088735 362022193 /nfs/dbraw/zinc/02/21/93/362022193.db2.gz ZORYFLVQDTVCEY-CYBMUJFWSA-N 1 0 288.457 1.922 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(F)cccc1F ZINC000159972716 362383133 /nfs/dbraw/zinc/38/31/33/362383133.db2.gz KSDFLVZOCWCSCW-LLVKDONJSA-N 1 0 290.335 1.323 20 70 CDIDRO C[NH2+][C@@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159979710 362383376 /nfs/dbraw/zinc/38/33/76/362383376.db2.gz BALRFUYKJWLKBH-GFCCVEGCSA-N 1 0 278.352 1.608 20 70 CDIDRO COc1cc(C[NH2+][C@H](C)CN(C)C)cc2c1OCO2 ZINC000159911681 362379865 /nfs/dbraw/zinc/37/98/65/362379865.db2.gz IVKYVGNEFPFSDI-SNVBAGLBSA-N 1 0 266.341 1.464 20 70 CDIDRO C[NH2+][C@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159992128 362385003 /nfs/dbraw/zinc/38/50/03/362385003.db2.gz IVEWEBFWPWMIRS-NSHDSACASA-N 1 0 264.325 1.218 20 70 CDIDRO COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159984906 362385788 /nfs/dbraw/zinc/38/57/88/362385788.db2.gz DIPCHGOTTBCWBC-WCQYABFASA-N 1 0 292.379 1.983 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@@H]2COc3ccccc32)CCOC1 ZINC000160303768 362410372 /nfs/dbraw/zinc/41/03/72/362410372.db2.gz DFGMNTMBZQWCAZ-IUODEOHRSA-N 1 0 263.337 1.558 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159733229 363251513 /nfs/dbraw/zinc/25/15/13/363251513.db2.gz OWIKBDVQNUEEOD-CQSZACIVSA-N 1 0 295.427 1.539 20 70 CDIDRO O=C1C[C@H]([NH2+]Cc2cccc3cccnc32)CCCN1 ZINC000159361809 358903591 /nfs/dbraw/zinc/90/35/91/358903591.db2.gz ZMEJAWZHJXTZLX-CQSZACIVSA-N 1 0 269.348 1.993 20 70 CDIDRO Cc1cc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]1 ZINC000159906085 237159751 /nfs/dbraw/zinc/15/97/51/237159751.db2.gz ULFLYWVYRHYKFE-ZDUSSCGKSA-N 1 0 279.384 1.208 20 70 CDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000160203355 363755536 /nfs/dbraw/zinc/75/55/36/363755536.db2.gz ONMOGGYLTODCHM-UONOGXRCSA-N 1 0 266.385 1.281 20 70 CDIDRO CCSCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159416276 361700189 /nfs/dbraw/zinc/70/01/89/361700189.db2.gz LZNSCRXGJBPILF-UHFFFAOYSA-N 1 0 257.403 1.229 20 70 CDIDRO CC[N@H+](CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000160495344 363942822 /nfs/dbraw/zinc/94/28/22/363942822.db2.gz SYOFIPRSISXTMA-JSGCOSHPSA-N 1 0 283.416 1.273 20 70 CDIDRO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159388703 364197479 /nfs/dbraw/zinc/19/74/79/364197479.db2.gz MZKYZUPAUQQUHC-NEPJUHHUSA-N 1 0 250.342 1.635 20 70 CDIDRO C[C@H](O)C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000159491497 364219055 /nfs/dbraw/zinc/21/90/55/364219055.db2.gz NXEFADOTGUUCRH-BPUTZDHNSA-N 1 0 290.407 1.752 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2nccs2)CC1 ZINC000159696285 364252113 /nfs/dbraw/zinc/25/21/13/364252113.db2.gz DMWFHTUZNRSIPL-UHFFFAOYSA-N 1 0 268.386 1.380 20 70 CDIDRO NC(=O)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000159753063 364260318 /nfs/dbraw/zinc/26/03/18/364260318.db2.gz NIRANUQORGISAJ-UHFFFAOYSA-N 1 0 276.336 1.503 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1nccs1 ZINC000159797973 364267583 /nfs/dbraw/zinc/26/75/83/364267583.db2.gz RTURMUDLMGLKOG-ZJUUUORDSA-N 1 0 253.371 1.457 20 70 CDIDRO Cc1cc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)[nH]n1 ZINC000159884753 364277316 /nfs/dbraw/zinc/27/73/16/364277316.db2.gz CUNNRFZLELZHCN-UHFFFAOYSA-N 1 0 276.384 1.251 20 70 CDIDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000159896247 364277869 /nfs/dbraw/zinc/27/78/69/364277869.db2.gz BGJGJDUPDRRGHV-RYUDHWBXSA-N 1 0 275.352 1.129 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)c1cccc2[nH]c(=O)oc21 ZINC000159912756 364280388 /nfs/dbraw/zinc/28/03/88/364280388.db2.gz AUZQRSBMWUVZEQ-UHFFFAOYSA-N 1 0 291.351 1.583 20 70 CDIDRO CC(C)Cc1nc(C(=O)NCC(C)(C)[NH3+])cs1 ZINC000160066868 364301886 /nfs/dbraw/zinc/30/18/86/364301886.db2.gz UGXOOKYGKWLFIF-UHFFFAOYSA-N 1 0 255.387 1.809 20 70 CDIDRO COc1ccc(Cl)cc1/C=C/C(=O)NCCC[NH3+] ZINC000160115341 364306740 /nfs/dbraw/zinc/30/67/40/364306740.db2.gz GJTHXUSMKVPRAD-ZZXKWVIFSA-N 1 0 268.744 1.827 20 70 CDIDRO COc1ccc(OC)c(CCC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160184210 364316328 /nfs/dbraw/zinc/31/63/28/364316328.db2.gz QQGUIPYPOGKHBM-GFCCVEGCSA-N 1 0 278.352 1.196 20 70 CDIDRO CCOc1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160204792 364318589 /nfs/dbraw/zinc/31/85/89/364318589.db2.gz VSDMQQMANHSPSQ-CQSZACIVSA-N 1 0 276.380 1.968 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000160613878 364382026 /nfs/dbraw/zinc/38/20/26/364382026.db2.gz FMOYAXFOLPBNPH-VIFPVBQESA-N 1 0 278.743 1.422 20 70 CDIDRO COc1ccc(C[N@H+](C)CC(C)(CO)CO)cc1Cl ZINC000161463358 364496367 /nfs/dbraw/zinc/49/63/67/364496367.db2.gz ZSLXRBBCUFMHLV-UHFFFAOYSA-N 1 0 287.787 1.771 20 70 CDIDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C(F)(F)F)nn1 ZINC000218078706 367259901 /nfs/dbraw/zinc/25/99/01/367259901.db2.gz QPQGGILDRUXWEV-JTQLQIEISA-N 1 0 278.278 1.220 20 70 CDIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)on1 ZINC000160510055 370083229 /nfs/dbraw/zinc/08/32/29/370083229.db2.gz VHFOERTWIVYMCY-GFCCVEGCSA-N 1 0 265.357 1.833 20 70 CDIDRO CCCN(CCC)C(=O)CCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160320662 377057359 /nfs/dbraw/zinc/05/73/59/377057359.db2.gz MAHICOBVVZBXBG-CYBMUJFWSA-N 1 0 283.416 1.365 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)c1cccs1 ZINC000160505678 377082455 /nfs/dbraw/zinc/08/24/55/377082455.db2.gz NAIAGWQAUJJQSL-UHFFFAOYSA-N 1 0 283.397 1.112 20 70 CDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161084555 377131032 /nfs/dbraw/zinc/13/10/32/377131032.db2.gz FMLMGKKSQXYWPU-YPMHNXCESA-N 1 0 290.363 1.874 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000161435996 377226149 /nfs/dbraw/zinc/22/61/49/377226149.db2.gz RGUAUAOLAXXGJG-UHFFFAOYSA-N 1 0 295.427 1.472 20 70 CDIDRO OCCCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161206912 377481162 /nfs/dbraw/zinc/48/11/62/377481162.db2.gz YGTGSKTYTVTCCC-LLVKDONJSA-N 1 0 269.307 1.784 20 70 CDIDRO CCOC(=O)NCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159446413 390939794 /nfs/dbraw/zinc/93/97/94/390939794.db2.gz NHCNLSFMXWJJNW-OLZOCXBDSA-N 1 0 297.399 1.208 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000159896716 390941962 /nfs/dbraw/zinc/94/19/62/390941962.db2.gz YCXYWZDQKPABCU-CABCVRRESA-N 1 0 290.407 1.935 20 70 CDIDRO Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160307811 391707078 /nfs/dbraw/zinc/70/70/78/391707078.db2.gz JUUCAPHCUVXHKQ-ZDUSSCGKSA-N 1 0 262.353 1.632 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000160387147 392504018 /nfs/dbraw/zinc/50/40/18/392504018.db2.gz DVFKMGDZFJIQRG-AWEZNQCLSA-N 1 0 299.378 1.447 20 70 CDIDRO COC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CC[NH2+]CC1 ZINC000159576246 277462662 /nfs/dbraw/zinc/46/26/62/277462662.db2.gz BMYKSELLHMVVCJ-NWDGAFQWSA-N 1 0 286.441 1.545 20 70 CDIDRO CC(C)(C)C(=O)NCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159673674 278287274 /nfs/dbraw/zinc/28/72/74/278287274.db2.gz NCCLSTVCONFIKJ-UHFFFAOYSA-N 1 0 297.443 1.577 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000160160586 292779198 /nfs/dbraw/zinc/77/91/98/292779198.db2.gz ZZOZSHZQLJOAQA-STQMWFEESA-N 1 0 295.452 1.604 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000161159427 482865722 /nfs/dbraw/zinc/86/57/22/482865722.db2.gz DOKSECXFSCQEHI-RYUDHWBXSA-N 1 0 254.280 1.965 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000160588078 519589661 /nfs/dbraw/zinc/58/96/61/519589661.db2.gz NDIYDLAMUDYFBS-CQSZACIVSA-N 1 0 297.443 1.387 20 70 CDIDRO C[NH+](C)C[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160400262 521848184 /nfs/dbraw/zinc/84/81/84/521848184.db2.gz QDMDVDNJBTYVSC-ZDUSSCGKSA-N 1 0 258.369 1.718 20 70 CDIDRO O=C(COC[C@H]1CCOC1)NCC[NH2+]C1CCCCCC1 ZINC000159730291 534619807 /nfs/dbraw/zinc/61/98/07/534619807.db2.gz SJMRFXBQGZBPAX-AWEZNQCLSA-N 1 0 298.427 1.468 20 70 CDIDRO CO[C@@H]1CCN(C(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000161127199 523670694 /nfs/dbraw/zinc/67/06/94/523670694.db2.gz FPXJFSUPFRMBCG-ZIAGYGMSSA-N 1 0 262.353 1.194 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161158858 524692247 /nfs/dbraw/zinc/69/22/47/524692247.db2.gz IYTUSAAABDVSDW-IAQYHMDHSA-N 1 0 296.342 1.280 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)C1CCOCC1 ZINC000159702710 528897792 /nfs/dbraw/zinc/89/77/92/528897792.db2.gz BJRCFMSWNQYBTB-CYBMUJFWSA-N 1 0 285.432 1.783 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159739953 361820897 /nfs/dbraw/zinc/82/08/97/361820897.db2.gz JTBRXRMKQVBHGR-ZDUSSCGKSA-N 1 0 295.358 1.189 20 70 CDIDRO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159867717 361888670 /nfs/dbraw/zinc/88/86/70/361888670.db2.gz ZDBLPJCWEFKFTJ-STQMWFEESA-N 1 0 294.399 1.068 20 70 CDIDRO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@H](O)C1CC1 ZINC000160809522 539116794 /nfs/dbraw/zinc/11/67/94/539116794.db2.gz CXURFICEEHITJV-WBMJQRKESA-N 1 0 288.391 1.667 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612594 282184385 /nfs/dbraw/zinc/18/43/85/282184385.db2.gz XTUHSQYGYXOUDX-KFWWJZLASA-N 1 0 295.427 1.680 20 70 CDIDRO COc1cccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160122211 362396780 /nfs/dbraw/zinc/39/67/80/362396780.db2.gz HUSLDSZTQQHITI-AWEZNQCLSA-N 1 0 277.368 1.303 20 70 CDIDRO CO[C@]1(C[NH2+]CCCOc2ccccc2)CCOC1 ZINC000160324781 362413547 /nfs/dbraw/zinc/41/35/47/362413547.db2.gz APLONFLCNAZUHZ-HNNXBMFYSA-N 1 0 265.353 1.851 20 70 CDIDRO C[C@@H](CO)C[NH2+]Cc1cncc(Br)c1 ZINC000160582847 362451513 /nfs/dbraw/zinc/45/15/13/362451513.db2.gz YBFFHMIZQSLFCM-MRVPVSSYSA-N 1 0 259.147 1.562 20 70 CDIDRO C[C@H](O)CC[NH2+]Cc1cncc(Br)c1 ZINC000160581967 362451758 /nfs/dbraw/zinc/45/17/58/362451758.db2.gz OFJFLVYWNPDGQV-QMMMGPOBSA-N 1 0 259.147 1.705 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000160652070 362462641 /nfs/dbraw/zinc/46/26/41/362462641.db2.gz FAIQOWPEBBDYTI-CYBMUJFWSA-N 1 0 290.363 1.211 20 70 CDIDRO COC(=O)[C@@H](NC(=O)CC[NH2+]C(C)C)C(C)(C)C ZINC000159908675 345284733 /nfs/dbraw/zinc/28/47/33/345284733.db2.gz XQNTTWDAWKPLTP-LLVKDONJSA-N 1 0 258.362 1.078 20 70 CDIDRO CC[C@@H](C(=O)Nc1nc(CC(=O)OC)cs1)[NH+](C)C ZINC000160810434 346611092 /nfs/dbraw/zinc/61/10/92/346611092.db2.gz JRRHTULCAQWNFP-VIFPVBQESA-N 1 0 285.369 1.137 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1 ZINC000159976783 362926495 /nfs/dbraw/zinc/92/64/95/362926495.db2.gz AMKFHVHSKPZJQB-CYBMUJFWSA-N 1 0 251.374 1.832 20 70 CDIDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161394893 362952201 /nfs/dbraw/zinc/95/22/01/362952201.db2.gz VCXGBXMFVZRVEV-ZDUSSCGKSA-N 1 0 255.406 1.176 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159666002 363171272 /nfs/dbraw/zinc/17/12/72/363171272.db2.gz KAITYWHOWRLNCZ-NEPJUHHUSA-N 1 0 273.446 1.769 20 70 CDIDRO CCc1ncc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cn1 ZINC000161176512 188512783 /nfs/dbraw/zinc/51/27/83/188512783.db2.gz SQBJBRSESTZHDS-LBPRGKRZSA-N 1 0 291.399 1.892 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159788534 363306643 /nfs/dbraw/zinc/30/66/43/363306643.db2.gz RAJMSCUIZWDQMV-CQSZACIVSA-N 1 0 283.416 1.396 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159807411 363329439 /nfs/dbraw/zinc/32/94/39/363329439.db2.gz VPUONYIKSPGISS-GFCCVEGCSA-N 1 0 265.401 1.818 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)N(C)CC1CCOCC1 ZINC000159841243 363368808 /nfs/dbraw/zinc/36/88/08/363368808.db2.gz VTZCHIPIJVPFEX-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160293445 361371866 /nfs/dbraw/zinc/37/18/66/361371866.db2.gz QNEMBTXPBFNRJI-OCCSQVGLSA-N 1 0 262.353 1.712 20 70 CDIDRO CO[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159524360 361727204 /nfs/dbraw/zinc/72/72/04/361727204.db2.gz AZNAICQOKJRRQT-QLFBSQMISA-N 1 0 274.364 1.727 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000159389697 364196463 /nfs/dbraw/zinc/19/64/63/364196463.db2.gz KEAZUIUALWDXAO-SRVKXCTJSA-N 1 0 282.359 1.704 20 70 CDIDRO COc1cccc(C2(CNC(=O)[C@H](C)[NH3+])CCCC2)c1 ZINC000159476455 364215470 /nfs/dbraw/zinc/21/54/70/364215470.db2.gz LTEDJUQJYAHGNG-LBPRGKRZSA-N 1 0 276.380 1.970 20 70 CDIDRO Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C2=O)cc1 ZINC000159567556 364234974 /nfs/dbraw/zinc/23/49/74/364234974.db2.gz IVQWBSYJBBULNG-UKRRQHHQSA-N 1 0 276.380 1.803 20 70 CDIDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159858749 364275098 /nfs/dbraw/zinc/27/50/98/364275098.db2.gz VYTSCJNALNLEPP-CYBMUJFWSA-N 1 0 294.399 1.872 20 70 CDIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cnn(C)c1 ZINC000159517660 364227076 /nfs/dbraw/zinc/22/70/76/364227076.db2.gz XEWCZOQHLILMKO-NSHDSACASA-N 1 0 250.346 1.083 20 70 CDIDRO O=C(NCC[NH+]1CCCCC1)[C@H](O)c1ccccc1 ZINC000159537839 364230932 /nfs/dbraw/zinc/23/09/32/364230932.db2.gz PQLYMHXQXKSPFL-CQSZACIVSA-N 1 0 262.353 1.322 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000160238799 364322988 /nfs/dbraw/zinc/32/29/88/364322988.db2.gz IJXJXLUHCDFRDY-UTLUCORTSA-N 1 0 266.291 1.628 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H](O)c1ccccc1)C[NH+]1CCCCC1 ZINC000160263542 364326464 /nfs/dbraw/zinc/32/64/64/364326464.db2.gz WXVLGOOZSZQKIC-HOCLYGCPSA-N 1 0 290.407 1.958 20 70 CDIDRO CC(C)([NH3+])CNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000159938352 364283050 /nfs/dbraw/zinc/28/30/50/364283050.db2.gz KQSSWDVDEOEVJY-UHFFFAOYSA-N 1 0 294.370 1.727 20 70 CDIDRO CC(C)Oc1ccc(/C=C/C(=O)NCCC[NH3+])cc1 ZINC000160052512 364299075 /nfs/dbraw/zinc/29/90/75/364299075.db2.gz GDLRKTDYIMKDHM-RMKNXTFCSA-N 1 0 262.353 1.952 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000160508912 364364995 /nfs/dbraw/zinc/36/49/95/364364995.db2.gz YGNPAJGCOMWHBT-MFKMUULPSA-N 1 0 266.316 1.334 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000160591549 364379451 /nfs/dbraw/zinc/37/94/51/364379451.db2.gz WJVLTLQRONWQSM-JTQLQIEISA-N 1 0 274.299 1.203 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000160382914 364344280 /nfs/dbraw/zinc/34/42/80/364344280.db2.gz NLKPEEFVMLNNIP-ZDUSSCGKSA-N 1 0 270.336 1.436 20 70 CDIDRO CCN1CCO[C@H](C(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000160297473 364650670 /nfs/dbraw/zinc/65/06/70/364650670.db2.gz CPIMGKGOXVEHHV-AWEZNQCLSA-N 1 0 292.335 1.099 20 70 CDIDRO CCOc1ccc(CNC(=O)NCCC[NH+](C)C)cc1 ZINC000217300893 375608220 /nfs/dbraw/zinc/60/82/20/375608220.db2.gz IOVLLIHMYWBYDI-UHFFFAOYSA-N 1 0 279.384 1.836 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCCC[NH2+]1 ZINC000160412152 377062185 /nfs/dbraw/zinc/06/21/85/377062185.db2.gz SATHNXOWOGAFTP-GFCCVEGCSA-N 1 0 273.336 1.652 20 70 CDIDRO O=C(CC1CCCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160600995 377097836 /nfs/dbraw/zinc/09/78/36/377097836.db2.gz VMTVEPGNGJEBLY-UHFFFAOYSA-N 1 0 282.428 1.777 20 70 CDIDRO Cc1ccc(F)cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160695367 377101697 /nfs/dbraw/zinc/10/16/97/377101697.db2.gz MTQKKXOTEKLYMZ-UHFFFAOYSA-N 1 0 294.370 1.568 20 70 CDIDRO CCCN(C)S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000161332438 377187727 /nfs/dbraw/zinc/18/77/27/377187727.db2.gz FKTZEFKFTWTGFL-UHFFFAOYSA-N 1 0 291.461 1.285 20 70 CDIDRO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160393246 296340930 /nfs/dbraw/zinc/34/09/30/296340930.db2.gz CLIZMWKQTIVMRS-UPJWGTAASA-N 1 0 254.374 1.531 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 ZINC000160606559 533037812 /nfs/dbraw/zinc/03/78/12/533037812.db2.gz YWJLMPYXVIJGJE-NSHDSACASA-N 1 0 287.367 1.019 20 70 CDIDRO CN(C(=O)[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000160439493 390979119 /nfs/dbraw/zinc/97/91/19/390979119.db2.gz KXDXTOWWDYWCLC-LLVKDONJSA-N 1 0 262.309 1.472 20 70 CDIDRO C[C@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000217522256 140163949 /nfs/dbraw/zinc/16/39/49/140163949.db2.gz FENBCEGPLYWFNQ-NWDGAFQWSA-N 1 0 295.814 1.940 20 70 CDIDRO COCCC1(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161481203 292286988 /nfs/dbraw/zinc/28/69/88/292286988.db2.gz IRRSUDBBDLBAKP-LBPRGKRZSA-N 1 0 254.374 1.356 20 70 CDIDRO CO[C@@H]1CCN(Cc2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000160986280 277292728 /nfs/dbraw/zinc/29/27/28/277292728.db2.gz VMURWFZXBNMAKQ-WDEREUQCSA-N 1 0 270.323 1.903 20 70 CDIDRO CC(=O)N[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C)cc1 ZINC000160084578 278170951 /nfs/dbraw/zinc/17/09/51/278170951.db2.gz YGURKZQFGDNXEK-CQSZACIVSA-N 1 0 291.395 1.416 20 70 CDIDRO CC(C)[C@H](C)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160576027 280200004 /nfs/dbraw/zinc/20/00/04/280200004.db2.gz FVRZVNRFEIOMDQ-NFFDBFGFSA-N 1 0 282.428 1.927 20 70 CDIDRO C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Sc1ccccc1 ZINC000161121099 289684832 /nfs/dbraw/zinc/68/48/32/289684832.db2.gz CJKQTGSGPKMGQK-RISCZKNCSA-N 1 0 282.384 1.985 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)Nc1nncn1Cc1ccccc1 ZINC000159632869 292763754 /nfs/dbraw/zinc/76/37/54/292763754.db2.gz OKCRCCGZTBLLRX-LLVKDONJSA-N 1 0 273.340 1.120 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])NC(=O)C1CCCC1 ZINC000160356567 298290133 /nfs/dbraw/zinc/29/01/33/298290133.db2.gz PZSYUOJBEHPDAR-DGCLKSJQSA-N 1 0 281.400 1.021 20 70 CDIDRO O=C(C[C@H]1C[NH2+]CCO1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161220382 303651602 /nfs/dbraw/zinc/65/16/02/303651602.db2.gz KPEGCQXMYIGYDL-GJZGRUSLSA-N 1 0 296.411 1.315 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c12 ZINC000160910562 482839553 /nfs/dbraw/zinc/83/95/53/482839553.db2.gz SRPYYBLSKBPCPT-MNOVXSKESA-N 1 0 288.351 1.839 20 70 CDIDRO CN(C(=O)CCOc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159830851 535975228 /nfs/dbraw/zinc/97/52/28/535975228.db2.gz WDYHXPZRNPDDDY-AWEZNQCLSA-N 1 0 262.353 1.651 20 70 CDIDRO COc1ccccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160559964 524350462 /nfs/dbraw/zinc/35/04/62/524350462.db2.gz NIJZIUCVXHZYBE-UHFFFAOYSA-N 1 0 292.379 1.129 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000161217485 527118160 /nfs/dbraw/zinc/11/81/60/527118160.db2.gz VGUHIRFAFDVMSW-IHRRRGAJSA-N 1 0 276.384 1.625 20 70 CDIDRO Cc1nccn1CCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000161270741 527394093 /nfs/dbraw/zinc/39/40/93/527394093.db2.gz JVZMJKMDTPGZTI-AWEZNQCLSA-N 1 0 251.374 1.676 20 70 CDIDRO CCCCO[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159715806 528645332 /nfs/dbraw/zinc/64/53/32/528645332.db2.gz LDYNTIGXJRFMFF-GFCCVEGCSA-N 1 0 256.390 1.969 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000160449633 528925100 /nfs/dbraw/zinc/92/51/00/528925100.db2.gz QNZWJUNSBZSCKD-UHFFFAOYSA-N 1 0 291.395 1.821 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)Cc1cn2ccsc2n1 ZINC000160467884 528925746 /nfs/dbraw/zinc/92/57/46/528925746.db2.gz QZFBWFHRUHYWKX-UHFFFAOYSA-N 1 0 280.397 1.572 20 70 CDIDRO CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160750388 538849785 /nfs/dbraw/zinc/84/97/85/538849785.db2.gz FNEOAIGTLTWYFR-AAEUAGOBSA-N 1 0 256.390 1.384 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000161057705 361752337 /nfs/dbraw/zinc/75/23/37/361752337.db2.gz VFGPOWJDADQTAY-PTRXPTGYSA-N 1 0 270.760 1.879 20 70 CDIDRO CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000160974853 361835968 /nfs/dbraw/zinc/83/59/68/361835968.db2.gz FFSXGCFKSAQERI-GJZGRUSLSA-N 1 0 292.379 1.375 20 70 CDIDRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CC[NH2+]C1 ZINC000161206411 361918978 /nfs/dbraw/zinc/91/89/78/361918978.db2.gz HOZSDIQTSOVSHI-SSDOTTSWSA-N 1 0 293.314 1.430 20 70 CDIDRO [NH3+]C1(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000161202815 361918992 /nfs/dbraw/zinc/91/89/92/361918992.db2.gz UUJLDGFUGGLQAC-UHFFFAOYSA-N 1 0 279.287 1.312 20 70 CDIDRO CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160750295 539116541 /nfs/dbraw/zinc/11/65/41/539116541.db2.gz FNEOAIGTLTWYFR-YPMHNXCESA-N 1 0 256.390 1.384 20 70 CDIDRO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)[NH+](C)C ZINC000160818596 539116939 /nfs/dbraw/zinc/11/69/39/539116939.db2.gz OFTAFWXGMSSMEK-KGLIPLIRSA-N 1 0 295.427 1.234 20 70 CDIDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1 ZINC000161331045 539117568 /nfs/dbraw/zinc/11/75/68/539117568.db2.gz WDRPYWCMAMAZOD-CQSZACIVSA-N 1 0 272.352 1.868 20 70 CDIDRO COc1ccc(F)cc1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000217173659 342439422 /nfs/dbraw/zinc/43/94/22/342439422.db2.gz OKPAXGOLAHYPJT-JTQLQIEISA-N 1 0 266.316 1.197 20 70 CDIDRO CN(CC(=O)Nc1ccc(F)cc1F)[C@H](C[NH3+])C1CC1 ZINC000160032505 362387797 /nfs/dbraw/zinc/38/77/97/362387797.db2.gz DIJHIZLCTVYMQR-CYBMUJFWSA-N 1 0 283.322 1.572 20 70 CDIDRO CC[C@@](C)(O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160919773 362547654 /nfs/dbraw/zinc/54/76/54/362547654.db2.gz ZAAJLZBCVSHDQI-GDBMZVCRSA-N 1 0 299.459 1.957 20 70 CDIDRO COc1ccc(C)cc1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000216785149 346006444 /nfs/dbraw/zinc/00/64/44/346006444.db2.gz UNCRIHLZNXRUAA-GFCCVEGCSA-N 1 0 262.353 1.366 20 70 CDIDRO CCc1ccc(/C=C/C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)o1 ZINC000161122146 362680444 /nfs/dbraw/zinc/68/04/44/362680444.db2.gz COGVKNRSWRHQLP-KXLSMFKISA-N 1 0 290.363 1.397 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000161360555 362794703 /nfs/dbraw/zinc/79/47/03/362794703.db2.gz JLFSATKTSRWMKX-JTQLQIEISA-N 1 0 275.308 1.759 20 70 CDIDRO C/C=C/c1ccc(OCC(=O)NCCC[NH3+])c(OC)c1 ZINC000160072361 188454300 /nfs/dbraw/zinc/45/43/00/188454300.db2.gz KQMHLUZCNYSGGW-HWKANZROSA-N 1 0 278.352 1.572 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000160803126 188492567 /nfs/dbraw/zinc/49/25/67/188492567.db2.gz FXFWJTXNYICPFO-SNVBAGLBSA-N 1 0 281.425 1.803 20 70 CDIDRO C[C@H]1CC(NC(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000159781940 363295844 /nfs/dbraw/zinc/29/58/44/363295844.db2.gz JIJOJKSJZSNIEU-STQMWFEESA-N 1 0 297.443 1.974 20 70 CDIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000159450548 358566081 /nfs/dbraw/zinc/56/60/81/358566081.db2.gz CKDUBNVQGPITAM-GFCCVEGCSA-N 1 0 263.341 1.496 20 70 CDIDRO COCCOCCCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000160151646 360872396 /nfs/dbraw/zinc/87/23/96/360872396.db2.gz WOKOLWQBRMVPQQ-ZIAGYGMSSA-N 1 0 286.416 1.453 20 70 CDIDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(C(C)(C)C)ns1 ZINC000159373445 361674280 /nfs/dbraw/zinc/67/42/80/361674280.db2.gz YKXNXQNUYXBZCU-NSHDSACASA-N 1 0 297.472 1.883 20 70 CDIDRO CC[C@@H](C)Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159422624 361694395 /nfs/dbraw/zinc/69/43/95/361694395.db2.gz YSSHTOZHQMVGEA-GFCCVEGCSA-N 1 0 262.353 1.909 20 70 CDIDRO CCc1cccc2c(CCNC(=O)[C@H](C)[NH3+])c[nH]c21 ZINC000159370726 364193173 /nfs/dbraw/zinc/19/31/73/364193173.db2.gz SETIMPJUVIQYDT-JTQLQIEISA-N 1 0 259.353 1.736 20 70 CDIDRO Cc1cc(NC(=O)[C@H](C)[NH3+])ccc1C(=O)NC(C)C ZINC000159495973 364220697 /nfs/dbraw/zinc/22/06/97/364220697.db2.gz VUJGVQPUHZRUIH-JTQLQIEISA-N 1 0 263.341 1.419 20 70 CDIDRO CC[NH+](CC)CCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000159584973 364238199 /nfs/dbraw/zinc/23/81/99/364238199.db2.gz SQRRVXMXJCZOOM-LLVKDONJSA-N 1 0 280.416 1.978 20 70 CDIDRO Cc1noc(COc2ccc(NC(=O)CCC[NH3+])cc2)n1 ZINC000159665495 364249835 /nfs/dbraw/zinc/24/98/35/364249835.db2.gz YQADMCRYNDAEFV-UHFFFAOYSA-N 1 0 290.323 1.634 20 70 CDIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159741763 364260420 /nfs/dbraw/zinc/26/04/20/364260420.db2.gz BKKRTVPHAFSZQJ-LBPRGKRZSA-N 1 0 286.379 1.977 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC1(c2ccccc2F)CC1 ZINC000159759959 364261659 /nfs/dbraw/zinc/26/16/59/364261659.db2.gz RNECZTAIRKOTJP-SNVBAGLBSA-N 1 0 250.317 1.787 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159528319 364229255 /nfs/dbraw/zinc/22/92/55/364229255.db2.gz PXTYCOQHHOVMBV-QWRGUYRKSA-N 1 0 268.332 1.143 20 70 CDIDRO O=C(Cc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160254747 364325880 /nfs/dbraw/zinc/32/58/80/364325880.db2.gz DDLUTSPOQIUILV-OAHLLOKOSA-N 1 0 294.370 1.331 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 ZINC000160325947 364336813 /nfs/dbraw/zinc/33/68/13/364336813.db2.gz UBTQLMZNMYKQAQ-SNVBAGLBSA-N 1 0 266.366 1.384 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000159939345 364283075 /nfs/dbraw/zinc/28/30/75/364283075.db2.gz SMLJNSDWWZLHSG-ZDUSSCGKSA-N 1 0 295.383 1.704 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160006909 364291714 /nfs/dbraw/zinc/29/17/14/364291714.db2.gz HCTVXSRUFDKFSU-DTWKUNHWSA-N 1 0 268.307 1.922 20 70 CDIDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCNC(=O)C1 ZINC000160503276 364363450 /nfs/dbraw/zinc/36/34/50/364363450.db2.gz OSWHXFJFLBNFOL-UHFFFAOYSA-N 1 0 289.423 1.576 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160420838 364351121 /nfs/dbraw/zinc/35/11/21/364351121.db2.gz WFFWSXAUJMRHGL-SNVBAGLBSA-N 1 0 296.346 1.006 20 70 CDIDRO CC[C@@H](C(=O)NCCc1nc(C)c(C)s1)[NH+](C)C ZINC000161046998 364441051 /nfs/dbraw/zinc/44/10/51/364441051.db2.gz GALGOIIDRPALDM-NSHDSACASA-N 1 0 269.414 1.759 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000161313018 364476543 /nfs/dbraw/zinc/47/65/43/364476543.db2.gz MQYNBJCKVYFDKO-ZIAGYGMSSA-N 1 0 283.393 1.021 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161193071 367577758 /nfs/dbraw/zinc/57/77/58/367577758.db2.gz MRUMDVZKBRKNEF-MRVPVSSYSA-N 1 0 264.251 1.511 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000159531665 296177430 /nfs/dbraw/zinc/17/74/30/296177430.db2.gz OWCBBRFIJVUBHO-QZQSVVMZSA-N 1 0 256.390 1.382 20 70 CDIDRO COC(=O)[C@H]1C[C@H](OC)CN1CCC[NH+]1CCCCC1 ZINC000161355847 284446599 /nfs/dbraw/zinc/44/65/99/284446599.db2.gz PXDMLWVJOIZLIU-UONOGXRCSA-N 1 0 284.400 1.125 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](O)C1 ZINC000160915779 376653025 /nfs/dbraw/zinc/65/30/25/376653025.db2.gz ZPDCFYVXWRLXTD-CABCVRRESA-N 1 0 297.443 1.663 20 70 CDIDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC000160845761 377120137 /nfs/dbraw/zinc/12/01/37/377120137.db2.gz AQGIFMGNMIGGMW-ZIAGYGMSSA-N 1 0 292.427 1.937 20 70 CDIDRO CCC(CC)N1C[C@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160452666 377068134 /nfs/dbraw/zinc/06/81/34/377068134.db2.gz XGPAAYKPSCCQCG-GFCCVEGCSA-N 1 0 297.443 1.657 20 70 CDIDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1F ZINC000160603490 377097618 /nfs/dbraw/zinc/09/76/18/377097618.db2.gz HBHSSDPRNDKKJJ-UHFFFAOYSA-N 1 0 294.370 1.568 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)C1 ZINC000160718523 532957161 /nfs/dbraw/zinc/95/71/61/532957161.db2.gz FZERPFHVBCHCAP-NEPJUHHUSA-N 1 0 272.414 1.109 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000161111797 286054812 /nfs/dbraw/zinc/05/48/12/286054812.db2.gz OUJUYCBLCKTVTG-OLZOCXBDSA-N 1 0 266.316 1.404 20 70 CDIDRO O=C([C@@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160252026 275005795 /nfs/dbraw/zinc/00/57/95/275005795.db2.gz FEDPUESEQLCLLW-VNHYZAJKSA-N 1 0 286.375 1.906 20 70 CDIDRO CCOCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000159963419 292774362 /nfs/dbraw/zinc/77/43/62/292774362.db2.gz XEQGJMSKQMHGNP-UHFFFAOYSA-N 1 0 271.405 1.539 20 70 CDIDRO CC[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000160539448 292789430 /nfs/dbraw/zinc/78/94/30/292789430.db2.gz IIBNWBLGUWWWAT-CQSZACIVSA-N 1 0 295.427 1.188 20 70 CDIDRO CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160933050 482843890 /nfs/dbraw/zinc/84/38/90/482843890.db2.gz UPIRRYNIINZQJO-GHMZBOCLSA-N 1 0 296.392 1.090 20 70 CDIDRO COc1ccc(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160955888 482845158 /nfs/dbraw/zinc/84/51/58/482845158.db2.gz AZQPMTVUCMBIHB-CHWSQXEVSA-N 1 0 292.379 1.850 20 70 CDIDRO COc1cccc(OCCCNC(=O)CC[NH2+]C(C)C)c1 ZINC000161359496 482874571 /nfs/dbraw/zinc/87/45/71/482874571.db2.gz KPPRFAXGJLAQLD-UHFFFAOYSA-N 1 0 294.395 1.968 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000161190620 518201213 /nfs/dbraw/zinc/20/12/13/518201213.db2.gz QRFRYTAHTBNMIH-VIFPVBQESA-N 1 0 276.262 1.526 20 70 CDIDRO COC(C)(C)C[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000160967310 522508377 /nfs/dbraw/zinc/50/83/77/522508377.db2.gz CGJXSOPPWVMGTL-NSHDSACASA-N 1 0 256.390 1.696 20 70 CDIDRO O=C(c1ccc(-n2cncn2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160334486 534687975 /nfs/dbraw/zinc/68/79/75/534687975.db2.gz BEBVWGKCNJWTNN-OKILXGFUSA-N 1 0 297.362 1.234 20 70 CDIDRO CN(C)C(=O)CCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159638500 523974958 /nfs/dbraw/zinc/97/49/58/523974958.db2.gz QKLHBZBBSRJAJC-UHFFFAOYSA-N 1 0 297.443 1.674 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C[NH3+] ZINC000161057023 361751463 /nfs/dbraw/zinc/75/14/63/361751463.db2.gz ABRDJFTVLSKKNW-QPUJVOFHSA-N 1 0 256.733 1.491 20 70 CDIDRO CN(C(=O)[C@@H]1COc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159889657 342072853 /nfs/dbraw/zinc/07/28/53/342072853.db2.gz ZRNWRHOPYUQRSC-OLZOCXBDSA-N 1 0 260.337 1.358 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000160259167 342072926 /nfs/dbraw/zinc/07/29/26/342072926.db2.gz DSMJWSLLCCOGEO-AWEZNQCLSA-N 1 0 267.369 1.579 20 70 CDIDRO [NH3+]CC1(C(=O)Nc2nncn2Cc2ccccc2)CCCC1 ZINC000159631707 342367646 /nfs/dbraw/zinc/36/76/46/342367646.db2.gz BHNLHCABJKTSSA-UHFFFAOYSA-N 1 0 299.378 1.784 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159648143 342367958 /nfs/dbraw/zinc/36/79/58/342367958.db2.gz XKDXDQCWXBTQIS-GDBMZVCRSA-N 1 0 276.380 1.744 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161202278 342398057 /nfs/dbraw/zinc/39/80/57/342398057.db2.gz TVBOPQIZICTENY-KBPBESRZSA-N 1 0 285.432 1.521 20 70 CDIDRO CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1OC ZINC000161242079 362184973 /nfs/dbraw/zinc/18/49/73/362184973.db2.gz SBYSWSMDRDJLOA-CYBMUJFWSA-N 1 0 292.379 1.918 20 70 CDIDRO CC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160888768 362196343 /nfs/dbraw/zinc/19/63/43/362196343.db2.gz FVCREILIOQMHES-ZIAGYGMSSA-N 1 0 295.427 1.824 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000159543765 362275121 /nfs/dbraw/zinc/27/51/21/362275121.db2.gz JWTWRELNIWYJIX-ZJUUUORDSA-N 1 0 270.760 1.980 20 70 CDIDRO [NH3+]C1(CNC(=O)c2cncc(F)c2)CCCCC1 ZINC000159500744 362329784 /nfs/dbraw/zinc/32/97/84/362329784.db2.gz ZJLKHOVGKFSNJJ-UHFFFAOYSA-N 1 0 251.305 1.612 20 70 CDIDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(=O)[nH]c2C)C1 ZINC000160972117 362369338 /nfs/dbraw/zinc/36/93/38/362369338.db2.gz PXKOWVYGQHUGLC-GFCCVEGCSA-N 1 0 277.368 1.557 20 70 CDIDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994769 362385673 /nfs/dbraw/zinc/38/56/73/362385673.db2.gz QNMCMHSKTIILGJ-ZYHUDNBSSA-N 1 0 278.352 1.593 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000161331243 529989225 /nfs/dbraw/zinc/98/92/25/529989225.db2.gz OMBJWRADJQXTOQ-ZDUSSCGKSA-N 1 0 290.363 1.211 20 70 CDIDRO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161192702 362528143 /nfs/dbraw/zinc/52/81/43/362528143.db2.gz HILZYIVEKTZWGN-CQSZACIVSA-N 1 0 268.401 1.792 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000159380681 358452641 /nfs/dbraw/zinc/45/26/41/358452641.db2.gz YDDRXUJIMGDVQO-KOLCDFICSA-N 1 0 282.315 1.669 20 70 CDIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)C[NH2+]C)ccc2NC1=O ZINC000161371805 362802104 /nfs/dbraw/zinc/80/21/04/362802104.db2.gz LHHOCDBMIKJSCL-BXKDBHETSA-N 1 0 291.351 1.193 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000160226476 188461028 /nfs/dbraw/zinc/46/10/28/188461028.db2.gz VVVHICVPZWJVCY-GFCCVEGCSA-N 1 0 256.309 1.046 20 70 CDIDRO CCCOc1cccc(CC(=O)NCC[NH+](C)C)c1 ZINC000160558738 188480230 /nfs/dbraw/zinc/48/02/30/188480230.db2.gz UXJALCQOAPRNQR-UHFFFAOYSA-N 1 0 264.369 1.696 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NCC[C@H](O)c1ccccc1 ZINC000160850706 188494631 /nfs/dbraw/zinc/49/46/31/188494631.db2.gz QOPJJTDDDIVCDT-YPMHNXCESA-N 1 0 250.342 1.082 20 70 CDIDRO C[N@H+](CCNC(=O)C[C@H]1COC(=O)C1)Cc1ccccc1 ZINC000161456668 188529714 /nfs/dbraw/zinc/52/97/14/188529714.db2.gz SIZOAVMILSEXLO-CQSZACIVSA-N 1 0 290.363 1.188 20 70 CDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159767418 363296246 /nfs/dbraw/zinc/29/62/46/363296246.db2.gz COZRCCPLTYGLGO-GFCCVEGCSA-N 1 0 294.374 1.752 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160007862 363571030 /nfs/dbraw/zinc/57/10/30/363571030.db2.gz GUVCNHIOTVSMGF-GMTAPVOTSA-N 1 0 271.430 1.662 20 70 CDIDRO C[NH+](C)Cc1ccc(C(=O)N2CCOC(C)(C)C2)cc1 ZINC000160092883 363659071 /nfs/dbraw/zinc/65/90/71/363659071.db2.gz AQASQPLTGHDKOO-UHFFFAOYSA-N 1 0 276.380 1.999 20 70 CDIDRO CCc1ccsc1C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161061104 360717008 /nfs/dbraw/zinc/71/70/08/360717008.db2.gz QLCCOZZYVHCESU-VXGBXAGGSA-N 1 0 282.409 1.889 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002374 361617749 /nfs/dbraw/zinc/61/77/49/361617749.db2.gz LSWOKPQVAQKIQO-BYPYZUCNSA-N 1 0 253.249 1.125 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000159428309 361694837 /nfs/dbraw/zinc/69/48/37/361694837.db2.gz BSCHTIRCPKVKJI-ZWNOBZJWSA-N 1 0 250.317 1.955 20 70 CDIDRO COCCN(CC[NH+](C)C)C(=O)c1cccc2nc[nH]c21 ZINC000159419468 364202712 /nfs/dbraw/zinc/20/27/12/364202712.db2.gz LSTHCZRYIUEBDW-UHFFFAOYSA-N 1 0 290.367 1.213 20 70 CDIDRO COc1cccc(OCC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159492934 364218586 /nfs/dbraw/zinc/21/85/86/364218586.db2.gz HDSRKHRZJNYLQT-UHFFFAOYSA-N 1 0 292.379 1.852 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000159560077 364235477 /nfs/dbraw/zinc/23/54/77/364235477.db2.gz GATREEZWOXMRJW-MNOVXSKESA-N 1 0 284.787 1.657 20 70 CDIDRO CN(C)c1ccc(C[NH2+]C2CCN(C3CC3)CC2)cn1 ZINC000159663926 364248271 /nfs/dbraw/zinc/24/82/71/364248271.db2.gz DXQVVUZZDCQIAE-UHFFFAOYSA-N 1 0 274.412 1.864 20 70 CDIDRO COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C)c1C ZINC000159809156 364268813 /nfs/dbraw/zinc/26/88/13/364268813.db2.gz IGKHFPDUMOHSGG-CQSZACIVSA-N 1 0 290.363 1.167 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)n1 ZINC000160349307 364337573 /nfs/dbraw/zinc/33/75/73/364337573.db2.gz MUIACIUNTPNQCD-LLVKDONJSA-N 1 0 297.786 1.312 20 70 CDIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CCOC1 ZINC000159922266 364280517 /nfs/dbraw/zinc/28/05/17/364280517.db2.gz MOPAJLZOCIXLGS-LOWVWBTDSA-N 1 0 255.383 1.970 20 70 CDIDRO COc1cccc(/C(C)=C/C(=O)NCC(C)(C)[NH3+])c1 ZINC000160054554 364300460 /nfs/dbraw/zinc/30/04/60/364300460.db2.gz PXOACQWCUHBMLV-DHZHZOJOSA-N 1 0 262.353 1.952 20 70 CDIDRO Cc1ccc(NC(=O)CSCC(=O)NCCC[NH3+])cc1 ZINC000160116725 364309576 /nfs/dbraw/zinc/30/95/76/364309576.db2.gz MODSUQIFBLTIIH-UHFFFAOYSA-N 1 0 295.408 1.132 20 70 CDIDRO CC(=O)c1csc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160146900 364310098 /nfs/dbraw/zinc/31/00/98/364310098.db2.gz QDXLGPIACOLSBP-SNVBAGLBSA-N 1 0 252.339 1.514 20 70 CDIDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC(C)(C)O ZINC000160583514 364377376 /nfs/dbraw/zinc/37/73/76/364377376.db2.gz SFFTYTQINVUROE-SNVBAGLBSA-N 1 0 268.332 1.903 20 70 CDIDRO COc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)ccn1 ZINC000161022387 364438173 /nfs/dbraw/zinc/43/81/73/364438173.db2.gz GBSYMPSMLAJLQC-UHFFFAOYSA-N 1 0 277.368 1.627 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cccnc1 ZINC000161322203 370222454 /nfs/dbraw/zinc/22/24/54/370222454.db2.gz FNGQNUBPHLYZFX-NEPJUHHUSA-N 1 0 263.341 1.059 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)[NH3+])[C@H](C)CO1 ZINC000161467091 373756799 /nfs/dbraw/zinc/75/67/99/373756799.db2.gz PLRGZSFEYXQAFO-DYEKYZERSA-N 1 0 262.353 1.631 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)[NH3+])[C@@H](C)CO1 ZINC000161467483 373756992 /nfs/dbraw/zinc/75/69/92/373756992.db2.gz PLRGZSFEYXQAFO-SGMGOOAPSA-N 1 0 262.353 1.631 20 70 CDIDRO COc1ccccc1CC(C)(C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160256154 377041024 /nfs/dbraw/zinc/04/10/24/377041024.db2.gz SXUWWYIXGLFHRK-CYBMUJFWSA-N 1 0 276.380 1.824 20 70 CDIDRO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160817781 377120731 /nfs/dbraw/zinc/12/07/31/377120731.db2.gz MXQMNDABINHDPR-TZMCWYRMSA-N 1 0 256.390 1.528 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)C1CC1 ZINC000161213648 377470544 /nfs/dbraw/zinc/47/05/44/377470544.db2.gz LOQVCINYLTYXPF-AWEZNQCLSA-N 1 0 299.378 1.542 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCO[C@@H](C)CC(C)C)C1 ZINC000160770915 533030849 /nfs/dbraw/zinc/03/08/49/533030849.db2.gz UTTZZBTZNSLLQB-STQMWFEESA-N 1 0 256.390 1.648 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)C(C)(C)C[NH3+])c1 ZINC000161166239 261239042 /nfs/dbraw/zinc/23/90/42/261239042.db2.gz FDEFBLFWZRSSAH-LBPRGKRZSA-N 1 0 264.369 1.863 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000160129246 264238941 /nfs/dbraw/zinc/23/89/41/264238941.db2.gz LJGJITNLXXZTBE-DIECRNLCSA-N 1 0 288.347 1.421 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Oc1ccccc1F ZINC000161163958 264272900 /nfs/dbraw/zinc/27/29/00/264272900.db2.gz NXFQVZNHNRTVBF-QWRGUYRKSA-N 1 0 266.316 1.319 20 70 CDIDRO CC[C@@H](C(=O)N(C)CC(=O)OC(C)(C)C)[NH+](C)C ZINC000159520394 292761011 /nfs/dbraw/zinc/76/10/11/292761011.db2.gz HYIFWLFPMXCXSL-JTQLQIEISA-N 1 0 258.362 1.127 20 70 CDIDRO Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)nc1 ZINC000159872519 292773008 /nfs/dbraw/zinc/77/30/08/292773008.db2.gz GVDCOQFHQAPZEN-UHFFFAOYSA-N 1 0 273.380 1.977 20 70 CDIDRO OCC1(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CCCC1 ZINC000160143819 292778553 /nfs/dbraw/zinc/77/85/53/292778553.db2.gz OBXKVQCASJJUPU-CQSZACIVSA-N 1 0 297.370 1.708 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N1CCOc2cc(F)ccc21 ZINC000160815466 292794894 /nfs/dbraw/zinc/79/48/94/292794894.db2.gz VORLZHUIHKFJHJ-UHFFFAOYSA-N 1 0 266.316 1.939 20 70 CDIDRO CC(C)(C[NH3+])C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000161429521 519230883 /nfs/dbraw/zinc/23/08/83/519230883.db2.gz YZGMNQGGUKOZIP-GHMZBOCLSA-N 1 0 256.415 1.858 20 70 CDIDRO CCOC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000161501761 520447599 /nfs/dbraw/zinc/44/75/99/520447599.db2.gz XWHMXDKPDHCPEV-CHWSQXEVSA-N 1 0 296.411 1.709 20 70 CDIDRO CCOC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161403145 520680854 /nfs/dbraw/zinc/68/08/54/520680854.db2.gz WHAWOPYCLWZRFC-GFCCVEGCSA-N 1 0 292.383 1.357 20 70 CDIDRO CCn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628989 523387276 /nfs/dbraw/zinc/38/72/76/523387276.db2.gz BZXMILLGQHEMPA-MCIONIFRSA-N 1 0 261.369 1.950 20 70 CDIDRO COCC[NH2+]CCNCc1csc(Br)c1 ZINC000161500384 523939431 /nfs/dbraw/zinc/93/94/31/523939431.db2.gz FNIQTHYYQXOBAH-UHFFFAOYSA-N 1 0 293.230 1.836 20 70 CDIDRO CO[C@H]1CCN(Cc2ccn(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161202505 523996939 /nfs/dbraw/zinc/99/69/39/523996939.db2.gz KNSHPYWMIFKDBX-KGLIPLIRSA-N 1 0 266.389 1.402 20 70 CDIDRO Cc1nc2ccccn2c1C[NH+]1CCC(NC(N)=O)CC1 ZINC000160863357 527178093 /nfs/dbraw/zinc/17/80/93/527178093.db2.gz GUMGIOXPGQAIAE-UHFFFAOYSA-N 1 0 287.367 1.275 20 70 CDIDRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159810864 361870546 /nfs/dbraw/zinc/87/05/46/361870546.db2.gz WAIWUMSBWDHZFH-UHFFFAOYSA-N 1 0 278.400 1.795 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000161137015 361882652 /nfs/dbraw/zinc/88/26/52/361882652.db2.gz WRZRYDSVKFBBEH-CHWSQXEVSA-N 1 0 282.771 1.918 20 70 CDIDRO CCOC[C@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160067155 362014783 /nfs/dbraw/zinc/01/47/83/362014783.db2.gz UJICDNMLHRNHPY-NWDGAFQWSA-N 1 0 274.430 1.342 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159894655 342370870 /nfs/dbraw/zinc/37/08/70/342370870.db2.gz JLRURPFSWVBLLO-LBPRGKRZSA-N 1 0 277.368 1.518 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161244202 362185730 /nfs/dbraw/zinc/18/57/30/362185730.db2.gz HWCLCLXFSSFXBM-JFGNBEQYSA-N 1 0 250.317 1.877 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)NCCCn1ccc2ccccc21 ZINC000159417168 362320004 /nfs/dbraw/zinc/32/00/04/362320004.db2.gz ZAIREYFGMGKXSH-CYBMUJFWSA-N 1 0 275.352 1.121 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000159443842 362322340 /nfs/dbraw/zinc/32/23/40/362322340.db2.gz QTQWPRVBUIFEAK-ZIAGYGMSSA-N 1 0 278.352 1.236 20 70 CDIDRO CCOc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159961667 362382402 /nfs/dbraw/zinc/38/24/02/362382402.db2.gz RXJHRSSJZYCJPE-CQSZACIVSA-N 1 0 298.408 1.443 20 70 CDIDRO COc1cc(CN2CCCC[C@H]2C[NH3+])cc2c1OCO2 ZINC000159979022 362383306 /nfs/dbraw/zinc/38/33/06/362383306.db2.gz UWAXHRDGPFOMCX-LBPRGKRZSA-N 1 0 278.352 1.737 20 70 CDIDRO CN(Cc1nc(Cc2ccccc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160166902 362401510 /nfs/dbraw/zinc/40/15/10/362401510.db2.gz VCAPALKPZJFNKZ-CQSZACIVSA-N 1 0 286.379 1.830 20 70 CDIDRO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000159586909 363013646 /nfs/dbraw/zinc/01/36/46/363013646.db2.gz LWNNRGFJNLZIHG-AAEUAGOBSA-N 1 0 254.374 1.450 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCCCCC1)C(=O)OC ZINC000159657053 363146244 /nfs/dbraw/zinc/14/62/44/363146244.db2.gz QZTHGNDQIJXHDC-UHFFFAOYSA-N 1 0 298.427 1.958 20 70 CDIDRO CC[NH+](CC)CCNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000159585042 188433393 /nfs/dbraw/zinc/43/33/93/188433393.db2.gz SQRRVXMXJCZOOM-NSHDSACASA-N 1 0 280.416 1.978 20 70 CDIDRO CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160353648 188468211 /nfs/dbraw/zinc/46/82/11/188468211.db2.gz XTLGIHSKYBOIDL-LBPRGKRZSA-N 1 0 296.392 1.044 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161171093 188512582 /nfs/dbraw/zinc/51/25/82/188512582.db2.gz HCENFBZWSKGBAQ-CZUORRHYSA-N 1 0 276.380 1.878 20 70 CDIDRO C[N@H+](C[C@@H](O)C1CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160069497 538846951 /nfs/dbraw/zinc/84/69/51/538846951.db2.gz WSHVAFNNSMSIIH-OAHLLOKOSA-N 1 0 296.455 1.974 20 70 CDIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000160441387 358639641 /nfs/dbraw/zinc/63/96/41/358639641.db2.gz XSDXRXFELUIDGA-JKSUJKDBSA-N 1 0 295.471 1.957 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000159496504 358742769 /nfs/dbraw/zinc/74/27/69/358742769.db2.gz DRUYEGARFZXZJE-FDYHWXHSSA-N 1 0 256.390 1.192 20 70 CDIDRO CC[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160908850 358778478 /nfs/dbraw/zinc/77/84/78/358778478.db2.gz CBQUBDPNIDHDAM-KBPBESRZSA-N 1 0 285.432 1.567 20 70 CDIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000216916865 358969256 /nfs/dbraw/zinc/96/92/56/358969256.db2.gz KSRWUNFBCHPBGZ-HUUCEWRRSA-N 1 0 297.443 1.521 20 70 CDIDRO CCC[C@](C)(CO)NC(=O)Cc1cn2ccccc2n1 ZINC000159556665 361729026 /nfs/dbraw/zinc/72/90/26/361729026.db2.gz DLHBTJLPDVGJBN-OAHLLOKOSA-N 1 0 275.352 1.544 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCOCC2CC2)CC1 ZINC000159557497 361730097 /nfs/dbraw/zinc/73/00/97/361730097.db2.gz PKHMLJRNYVZDAI-UHFFFAOYSA-N 1 0 283.416 1.540 20 70 CDIDRO Cc1cc(C(=O)N2CC[NH2+]CC2)nn1-c1ccccc1 ZINC000159383208 364195044 /nfs/dbraw/zinc/19/50/44/364195044.db2.gz ZOYVUVWZRZUIJM-UHFFFAOYSA-N 1 0 270.336 1.226 20 70 CDIDRO COC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000159376578 364195095 /nfs/dbraw/zinc/19/50/95/364195095.db2.gz YFYQIQQWHILDHH-CYBMUJFWSA-N 1 0 297.399 1.949 20 70 CDIDRO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159658330 364247250 /nfs/dbraw/zinc/24/72/50/364247250.db2.gz SLAFYUUDWZSXJH-NEPJUHHUSA-N 1 0 280.372 1.058 20 70 CDIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000159673133 364249976 /nfs/dbraw/zinc/24/99/76/364249976.db2.gz WGOYOFSNIUVJKG-JHJVBQTASA-N 1 0 268.401 1.553 20 70 CDIDRO O=C(c1n[nH]c2c1CCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159741053 364259215 /nfs/dbraw/zinc/25/92/15/364259215.db2.gz VCFLZBBMDWJZLX-UHFFFAOYSA-N 1 0 288.395 1.503 20 70 CDIDRO CC(C)Oc1cccc(CC(=O)NCC(C)(C)[NH3+])c1 ZINC000159964646 364288065 /nfs/dbraw/zinc/28/80/65/364288065.db2.gz GBAIIOFOQGASDQ-UHFFFAOYSA-N 1 0 264.369 1.870 20 70 CDIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC(C)(C)[NH3+] ZINC000160060160 364300582 /nfs/dbraw/zinc/30/05/82/364300582.db2.gz UYDLGXSPBCBKOZ-NSHDSACASA-N 1 0 297.424 1.356 20 70 CDIDRO COC(=O)[C@H](c1cccnc1)N(C)C[C@@H]1CCCOC1 ZINC000160094168 364305172 /nfs/dbraw/zinc/30/51/72/364305172.db2.gz CVVFVGGGFDRALV-JSGCOSHPSA-N 1 0 278.352 1.654 20 70 CDIDRO Cc1cc(C)cc(-c2nnc(NC(=O)C[NH3+])s2)c1 ZINC000160116025 364309434 /nfs/dbraw/zinc/30/94/34/364309434.db2.gz VXFBZYGDTKJDPE-UHFFFAOYSA-N 1 0 262.338 1.719 20 70 CDIDRO Cc1c(C(=O)NCCC[NH3+])cnn1Cc1ccccc1 ZINC000160143241 364310863 /nfs/dbraw/zinc/31/08/63/364310863.db2.gz IXLFRFWLIZFTRD-UHFFFAOYSA-N 1 0 272.352 1.318 20 70 CDIDRO O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC[NH2+]CC1 ZINC000160860765 364421257 /nfs/dbraw/zinc/42/12/57/364421257.db2.gz HMUTXLJERBDOIS-RYUDHWBXSA-N 1 0 280.318 1.890 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+][C@@H](CCO)CSC)cn1 ZINC000160294338 364637508 /nfs/dbraw/zinc/63/75/08/364637508.db2.gz SFKKFWFFCVODSJ-PWSUYJOCSA-N 1 0 257.403 1.668 20 70 CDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000161084686 377131632 /nfs/dbraw/zinc/13/16/32/377131632.db2.gz FMLMGKKSQXYWPU-AAEUAGOBSA-N 1 0 290.363 1.874 20 70 CDIDRO CC[N@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)C(C)C ZINC000161146457 377158791 /nfs/dbraw/zinc/15/87/91/377158791.db2.gz LXXFKHWXPDACAJ-CYBMUJFWSA-N 1 0 278.400 1.292 20 70 CDIDRO C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000161210967 377481800 /nfs/dbraw/zinc/48/18/00/377481800.db2.gz SIWKWSURBAEUBH-HOCLYGCPSA-N 1 0 297.443 1.663 20 70 CDIDRO COCC(C)(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161250940 377523433 /nfs/dbraw/zinc/52/34/33/377523433.db2.gz ZNKOXAHUOLHYEY-UHFFFAOYSA-N 1 0 270.417 1.896 20 70 CDIDRO Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000160230174 378694251 /nfs/dbraw/zinc/69/42/51/378694251.db2.gz QKWZOIFZTQWDQV-CYBMUJFWSA-N 1 0 270.336 1.354 20 70 CDIDRO C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160097406 296331097 /nfs/dbraw/zinc/33/10/97/296331097.db2.gz UCEBZHVKOMRNHB-XBFCOCLRSA-N 1 0 267.417 1.350 20 70 CDIDRO COc1cc(OC)cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159785410 139905252 /nfs/dbraw/zinc/90/52/52/139905252.db2.gz XFWLENFMSPLHSA-AWEZNQCLSA-N 1 0 278.352 1.513 20 70 CDIDRO CCOC(=O)[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H](C)CC ZINC000161507162 139912832 /nfs/dbraw/zinc/91/28/32/139912832.db2.gz OIYJDEKOXBRCPU-GMXVVIOVSA-N 1 0 270.373 1.223 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc([S@@](C)=O)cc1 ZINC000160629507 261220693 /nfs/dbraw/zinc/22/06/93/261220693.db2.gz BVWGGAYITLOTGF-QGHHPUGFSA-N 1 0 255.383 1.846 20 70 CDIDRO CC(C)Oc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000216786079 424140920 /nfs/dbraw/zinc/14/09/20/424140920.db2.gz RUNDUZRWSPGNHX-GFCCVEGCSA-N 1 0 262.353 1.908 20 70 CDIDRO CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000161314162 276223256 /nfs/dbraw/zinc/22/32/56/276223256.db2.gz VURZJUXMMUFTIA-ZIAGYGMSSA-N 1 0 295.427 1.236 20 70 CDIDRO COC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160508327 277248934 /nfs/dbraw/zinc/24/89/34/277248934.db2.gz LFTJEUIYDVEICK-VXGBXAGGSA-N 1 0 252.362 1.162 20 70 CDIDRO CC(=O)NC1(C(=O)NCC2([NH3+])CCCCC2)CCCCC1 ZINC000159465057 278082824 /nfs/dbraw/zinc/08/28/24/278082824.db2.gz FDUVPBHKFNONIE-UHFFFAOYSA-N 1 0 295.427 1.603 20 70 CDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CC1CCOCC1 ZINC000159727197 292766757 /nfs/dbraw/zinc/76/67/57/292766757.db2.gz BUBBZBSILTVOGF-CQSZACIVSA-N 1 0 297.443 1.929 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@H]([NH+](CC)CC)C1 ZINC000159975310 292774999 /nfs/dbraw/zinc/77/49/99/292774999.db2.gz RUUFQGJGURXOAY-AWEZNQCLSA-N 1 0 279.432 1.913 20 70 CDIDRO CCOC(=O)NCCCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161490552 292807419 /nfs/dbraw/zinc/80/74/19/292807419.db2.gz GFVYYPCHMHSXOA-STQMWFEESA-N 1 0 299.415 1.502 20 70 CDIDRO CSC[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000159724642 533694020 /nfs/dbraw/zinc/69/40/20/533694020.db2.gz MQVRFIFXSBDYOD-WDEREUQCSA-N 1 0 258.431 1.880 20 70 CDIDRO CC(C)c1cc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)on1 ZINC000160149227 482785850 /nfs/dbraw/zinc/78/58/50/482785850.db2.gz XJIBNEKFEPRYTR-CQSZACIVSA-N 1 0 287.363 1.984 20 70 CDIDRO CN(C)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000161221626 482867960 /nfs/dbraw/zinc/86/79/60/482867960.db2.gz ZZQXWMMVPNTABZ-NWDGAFQWSA-N 1 0 262.357 1.147 20 70 CDIDRO Cc1ccc(-n2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)nn2)cc1 ZINC000161503865 482881102 /nfs/dbraw/zinc/88/11/02/482881102.db2.gz FQRJZWLMSVPKKZ-OLZOCXBDSA-N 1 0 299.378 1.575 20 70 CDIDRO CC[C@H](COC)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160560745 522256239 /nfs/dbraw/zinc/25/62/39/522256239.db2.gz NXJWYEDMCFRFDQ-MCYUEQNJSA-N 1 0 284.400 1.060 20 70 CDIDRO CO[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000161099867 523666147 /nfs/dbraw/zinc/66/61/47/523666147.db2.gz NCKDPUCCTPKACK-WDEREUQCSA-N 1 0 268.401 1.633 20 70 CDIDRO O=C(CC1CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160195639 534822526 /nfs/dbraw/zinc/82/25/26/534822526.db2.gz FEISTZJEBNJPRW-GJZGRUSLSA-N 1 0 280.412 1.671 20 70 CDIDRO C[C@@]1(C(=O)NC[C@@H](O)C2CCCCC2)CCC[NH2+]C1 ZINC000161438854 525801107 /nfs/dbraw/zinc/80/11/07/525801107.db2.gz JDKCCVOKWJTYPP-UKRRQHHQSA-N 1 0 268.401 1.434 20 70 CDIDRO O=C(CCC1CCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160581178 526403417 /nfs/dbraw/zinc/40/34/17/526403417.db2.gz XZLLSIKQQMWYNA-UHFFFAOYSA-N 1 0 282.428 1.777 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000161217610 527118341 /nfs/dbraw/zinc/11/83/41/527118341.db2.gz VGUHIRFAFDVMSW-BFHYXJOUSA-N 1 0 276.384 1.625 20 70 CDIDRO CC(C)(O)C[NH+]1CCN(Cc2cnc3ccccn23)CC1 ZINC000159673772 361772318 /nfs/dbraw/zinc/77/23/18/361772318.db2.gz JFWLANJBDVFWJZ-UHFFFAOYSA-N 1 0 288.395 1.223 20 70 CDIDRO O=C(NCc1ccccc1OC1CCC1)[C@@H]1C[NH2+]CCO1 ZINC000159711260 361806657 /nfs/dbraw/zinc/80/66/57/361806657.db2.gz VZLPDBZWXBENQD-HNNXBMFYSA-N 1 0 290.363 1.223 20 70 CDIDRO CC1CCC(N(C)C(=O)C[NH+]2CCC(C)(O)CC2)CC1 ZINC000161205285 539117379 /nfs/dbraw/zinc/11/73/79/539117379.db2.gz ZVLKXGNJSRGJKV-UHFFFAOYSA-N 1 0 282.428 1.870 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000161240760 362144086 /nfs/dbraw/zinc/14/40/86/362144086.db2.gz XSJJMNWNIUXTSA-ZDUSSCGKSA-N 1 0 284.400 1.030 20 70 CDIDRO COc1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000216659481 342439353 /nfs/dbraw/zinc/43/93/53/342439353.db2.gz RNJWBBQNLMAFDT-MFKMUULPSA-N 1 0 261.325 1.521 20 70 CDIDRO COCc1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1 ZINC000159368935 362315630 /nfs/dbraw/zinc/31/56/30/362315630.db2.gz KLPPQFRUNOQMNJ-UHFFFAOYSA-N 1 0 292.379 1.172 20 70 CDIDRO Cc1ccccc1NC(=O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000159405131 362318752 /nfs/dbraw/zinc/31/87/52/362318752.db2.gz NVZZUBPNLZLOLS-TZMCWYRMSA-N 1 0 262.353 1.636 20 70 CDIDRO C[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@@H]1O ZINC000159472619 362325304 /nfs/dbraw/zinc/32/53/04/362325304.db2.gz XFWDVYBIOLQOJZ-OCCSQVGLSA-N 1 0 268.401 1.528 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCc1cn2ccccc2n1 ZINC000161261988 362363203 /nfs/dbraw/zinc/36/32/03/362363203.db2.gz AZZWOMLNFDUVNR-UHFFFAOYSA-N 1 0 274.368 1.716 20 70 CDIDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc2c1OCO2 ZINC000159983245 362385054 /nfs/dbraw/zinc/38/50/54/362385054.db2.gz LEJLKMXCXJYIAJ-QWRGUYRKSA-N 1 0 278.352 1.606 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161106767 362673310 /nfs/dbraw/zinc/67/33/10/362673310.db2.gz WAVHMFJETJCMDS-RTXFEEFZSA-N 1 0 254.374 1.304 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)c1cccs1 ZINC000161335549 362786025 /nfs/dbraw/zinc/78/60/25/362786025.db2.gz OVDQAUZNPNPJTB-NSHDSACASA-N 1 0 295.408 1.078 20 70 CDIDRO C[NH2+]CCNCc1ccc(Br)cc1F ZINC000161269432 362926512 /nfs/dbraw/zinc/92/65/12/362926512.db2.gz XCZPKBDCZDTQNB-UHFFFAOYSA-N 1 0 261.138 1.897 20 70 CDIDRO C[C@H](CO)[N@H+](C)Cc1ccc(Br)cn1 ZINC000161441979 362986520 /nfs/dbraw/zinc/98/65/20/362986520.db2.gz FEQCVSRBVYVDBY-MRVPVSSYSA-N 1 0 259.147 1.657 20 70 CDIDRO COCCC1(C(=O)NCC(C)(C)C[NH+](C)C)CCC1 ZINC000159581676 363016287 /nfs/dbraw/zinc/01/62/87/363016287.db2.gz MOFCSCGRIZZWMD-UHFFFAOYSA-N 1 0 270.417 1.897 20 70 CDIDRO C[C@@]1(C(=O)Nc2cnn(CC(F)(F)F)c2)CC[NH2+]C1 ZINC000159694988 188437356 /nfs/dbraw/zinc/43/73/56/188437356.db2.gz UHTJEWNLJYCQKQ-SNVBAGLBSA-N 1 0 276.262 1.384 20 70 CDIDRO COc1cc(C(=O)NCCC[NH3+])ccc1OCC(C)C ZINC000160071037 188453394 /nfs/dbraw/zinc/45/33/94/188453394.db2.gz WBVQIBSQJANTSF-UHFFFAOYSA-N 1 0 280.368 1.809 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000160507728 188477755 /nfs/dbraw/zinc/47/77/55/188477755.db2.gz MHGHWHUOBGDFQT-OAHLLOKOSA-N 1 0 298.390 1.625 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522628 188477976 /nfs/dbraw/zinc/47/79/76/188477976.db2.gz LAWNTBMCZJQYFJ-CYBMUJFWSA-N 1 0 294.782 1.824 20 70 CDIDRO COc1ccccc1[C@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161424552 188526056 /nfs/dbraw/zinc/52/60/56/188526056.db2.gz YDOJJXBBDGMADG-CJNGLKHVSA-N 1 0 292.379 1.235 20 70 CDIDRO C[C@@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000159855613 363381312 /nfs/dbraw/zinc/38/13/12/363381312.db2.gz NMFUNRDMWJLECS-OCCSQVGLSA-N 1 0 295.427 1.680 20 70 CDIDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCC[NH+]1CCCCC1 ZINC000161358901 358797200 /nfs/dbraw/zinc/79/72/00/358797200.db2.gz VXNVRDRDTQEUJC-KGLIPLIRSA-N 1 0 290.473 1.616 20 70 CDIDRO CO[C@H](C)c1nc(C)c(C(=O)NCCC[NH3+])s1 ZINC000160110641 237162478 /nfs/dbraw/zinc/16/24/78/237162478.db2.gz XKXZMQXTCHENSE-MRVPVSSYSA-N 1 0 257.359 1.238 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000160281666 361273160 /nfs/dbraw/zinc/27/31/60/361273160.db2.gz DXKZBZURVCZNAI-SNVBAGLBSA-N 1 0 288.269 1.644 20 70 CDIDRO Cc1noc(Cl)c1CC(=O)NCC[NH+]1CCCCC1 ZINC000160246249 363792796 /nfs/dbraw/zinc/79/27/96/363792796.db2.gz GKSJWFVKLNNEET-UHFFFAOYSA-N 1 0 285.775 1.781 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000159471286 361709402 /nfs/dbraw/zinc/70/94/02/361709402.db2.gz RBURCOLUTBOFPO-KGLIPLIRSA-N 1 0 268.401 1.794 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159459541 361713816 /nfs/dbraw/zinc/71/38/16/361713816.db2.gz OWKOKLCMWVJTPH-KBPBESRZSA-N 1 0 283.416 1.585 20 70 CDIDRO CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160392029 363843219 /nfs/dbraw/zinc/84/32/19/363843219.db2.gz SIUWNVYBPBMBQE-GXTWGEPZSA-N 1 0 264.344 1.954 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000161451557 482877718 /nfs/dbraw/zinc/87/77/18/482877718.db2.gz CDMSFELXAJRNMV-WDEREUQCSA-N 1 0 264.373 1.543 20 70 CDIDRO CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000159434363 364205678 /nfs/dbraw/zinc/20/56/78/364205678.db2.gz MAVJNLOCBOGFLU-UHFFFAOYSA-N 1 0 289.379 1.717 20 70 CDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000159713857 364255409 /nfs/dbraw/zinc/25/54/09/364255409.db2.gz AJVKBRPDFLZRCB-GWCFXTLKSA-N 1 0 294.399 1.788 20 70 CDIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315539 364333636 /nfs/dbraw/zinc/33/36/36/364333636.db2.gz VAUJCMSIPPFRIM-STQMWFEESA-N 1 0 274.372 1.376 20 70 CDIDRO C[C@@H](CO)NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160101033 364306023 /nfs/dbraw/zinc/30/60/23/364306023.db2.gz OOUWMJCXFGCSPU-GUTXKFCHSA-N 1 0 291.395 1.329 20 70 CDIDRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCC[NH3+] ZINC000160095393 364306133 /nfs/dbraw/zinc/30/61/33/364306133.db2.gz OIAWDUTZOXEXHK-UHFFFAOYSA-N 1 0 292.770 1.913 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OC(C)C)C1 ZINC000160762781 364406454 /nfs/dbraw/zinc/40/64/54/364406454.db2.gz GGEUUFGSBOAURU-LBPRGKRZSA-N 1 0 262.353 1.908 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000161103283 364447880 /nfs/dbraw/zinc/44/78/80/364447880.db2.gz QTOZAEJWFCIQJV-UHFFFAOYSA-N 1 0 298.818 1.844 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccnn1C(C)C ZINC000161391792 364488269 /nfs/dbraw/zinc/48/82/69/364488269.db2.gz ACOSIJJCQGSNHX-LBPRGKRZSA-N 1 0 266.389 1.924 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000161213818 367634690 /nfs/dbraw/zinc/63/46/90/367634690.db2.gz UMPJGGYDNJEPRG-GFCCVEGCSA-N 1 0 280.343 1.805 20 70 CDIDRO C[C@@H]1CN(C(=O)N2CCC(C)CC2)C[C@H]1[NH+](C)C ZINC000160714396 372303714 /nfs/dbraw/zinc/30/37/14/372303714.db2.gz JNTWQJCGRWZTDR-CHWSQXEVSA-N 1 0 253.390 1.720 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C1CC[NH2+]CC1 ZINC000161504693 375649195 /nfs/dbraw/zinc/64/91/95/375649195.db2.gz VJKWVQHVCDOPAB-HNNXBMFYSA-N 1 0 290.363 1.792 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cnc(-c2ccccn2)s1 ZINC000160067648 376999622 /nfs/dbraw/zinc/99/96/22/376999622.db2.gz OFJZEFSDNYISRW-UHFFFAOYSA-N 1 0 276.365 1.672 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160144113 377051040 /nfs/dbraw/zinc/05/10/40/377051040.db2.gz WNPANXPXAFYCRI-KGLIPLIRSA-N 1 0 289.379 1.282 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000160549150 377084600 /nfs/dbraw/zinc/08/46/00/377084600.db2.gz IOLFGFFZAGTGMK-AWEZNQCLSA-N 1 0 299.459 1.807 20 70 CDIDRO COCC[NH2+]CC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160556456 377087247 /nfs/dbraw/zinc/08/72/47/377087247.db2.gz UPADMCYBWUGPHH-CYBMUJFWSA-N 1 0 294.395 1.541 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCCc1cnn(C)c1 ZINC000161210188 377481903 /nfs/dbraw/zinc/48/19/03/377481903.db2.gz TZUSYUUWIHTOAS-UHFFFAOYSA-N 1 0 266.389 1.234 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CSC[C@H]2CCCCO2)C1 ZINC000160718784 532956560 /nfs/dbraw/zinc/95/65/60/532956560.db2.gz FZERPFHVBCHCAP-VXGBXAGGSA-N 1 0 272.414 1.109 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160355228 391507890 /nfs/dbraw/zinc/50/78/90/391507890.db2.gz UGKXGVSVOLSNHF-ZDUSSCGKSA-N 1 0 254.374 1.404 20 70 CDIDRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2C)ccc1F ZINC000216735003 140163973 /nfs/dbraw/zinc/16/39/73/140163973.db2.gz IXOFINBIIKKUNR-LLVKDONJSA-N 1 0 286.372 1.459 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(C)c2)[C@@H](C[NH3+])C1 ZINC000161112970 285710024 /nfs/dbraw/zinc/71/00/24/285710024.db2.gz GYPGSZJEDPIPHC-ZIAGYGMSSA-N 1 0 262.353 1.573 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccccc2F)[C@@H](C[NH3+])C1 ZINC000161133759 286056151 /nfs/dbraw/zinc/05/61/51/286056151.db2.gz LZMIRBODTUCDKU-MNOVXSKESA-N 1 0 266.316 1.404 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Oc1ccccc1F ZINC000161163725 264272914 /nfs/dbraw/zinc/27/29/14/264272914.db2.gz NXFQVZNHNRTVBF-WDEREUQCSA-N 1 0 266.316 1.319 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000159964045 276366793 /nfs/dbraw/zinc/36/67/93/276366793.db2.gz YPOYKGBOXHLBRQ-AWEZNQCLSA-N 1 0 269.389 1.293 20 70 CDIDRO CC[C@@H](C(=O)N[C@H]1CCC[C@H]2OCC[C@@H]21)[NH+](C)C ZINC000159777778 276409639 /nfs/dbraw/zinc/40/96/39/276409639.db2.gz BYSNUERJDLCHQK-MROQNXINSA-N 1 0 254.374 1.400 20 70 CDIDRO CN(CC(=O)N1CCCc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000160001747 276913545 /nfs/dbraw/zinc/91/35/45/276913545.db2.gz ZURAQMMCBCHPAY-INIZCTEOSA-N 1 0 287.407 1.635 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000161103580 277280858 /nfs/dbraw/zinc/28/08/58/277280858.db2.gz NEUVGXDWRSPFLX-UWVGGRQHSA-N 1 0 266.316 1.795 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC1CC[NH+](C)CC1 ZINC000159708404 292766783 /nfs/dbraw/zinc/76/67/83/292766783.db2.gz TUUOEBWXYDMILB-UHFFFAOYSA-N 1 0 269.389 1.149 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000160258453 292781862 /nfs/dbraw/zinc/78/18/62/292781862.db2.gz SLMJIAMXMZHVOA-CYBMUJFWSA-N 1 0 267.369 1.749 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ncoc1-c1ccccc1 ZINC000160018571 482777091 /nfs/dbraw/zinc/77/70/91/482777091.db2.gz IDQGXNJAWCJHER-UHFFFAOYSA-N 1 0 259.309 1.809 20 70 CDIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000160649972 482816937 /nfs/dbraw/zinc/81/69/37/482816937.db2.gz AAWGFKSHTWQQJW-SQWLQELKSA-N 1 0 258.365 1.967 20 70 CDIDRO COCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161078350 482858845 /nfs/dbraw/zinc/85/88/45/482858845.db2.gz ADRXSINRZSQSTK-CHWSQXEVSA-N 1 0 262.353 1.833 20 70 CDIDRO COc1ccc(OC)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161362114 482874894 /nfs/dbraw/zinc/87/48/94/482874894.db2.gz WCFSOPPGYBMHAZ-QWRGUYRKSA-N 1 0 278.352 1.704 20 70 CDIDRO CCCCCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160620306 519929472 /nfs/dbraw/zinc/92/94/72/519929472.db2.gz HBHUTFLEUGFEGF-UHFFFAOYSA-N 1 0 256.390 1.387 20 70 CDIDRO CC(=O)N(C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161302814 519439384 /nfs/dbraw/zinc/43/93/84/519439384.db2.gz KQQZOMUSUMDJKA-UHFFFAOYSA-N 1 0 281.444 1.805 20 70 CDIDRO CCNC(=O)CN(CC)CCC[NH+]1CCCCC1 ZINC000161233057 521736622 /nfs/dbraw/zinc/73/66/22/521736622.db2.gz DNONSNBKWBKFBK-UHFFFAOYSA-N 1 0 255.406 1.320 20 70 CDIDRO CCc1nnc(C[NH2+][C@H](CCO)C2CCCCC2)[nH]1 ZINC000160556986 522356491 /nfs/dbraw/zinc/35/64/91/522356491.db2.gz DYBHTWJFICAZSH-GFCCVEGCSA-N 1 0 266.389 1.788 20 70 CDIDRO O=C(Cc1cccc(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160006328 534730440 /nfs/dbraw/zinc/73/04/40/534730440.db2.gz GMPMUTSOBOFYCS-OAHLLOKOSA-N 1 0 294.370 1.331 20 70 CDIDRO Cc1nn(CC(=O)NCC2([NH3+])CCCCC2)c(C)c1Cl ZINC000159673000 534855336 /nfs/dbraw/zinc/85/53/36/534855336.db2.gz KYHIUEFIQTXGFH-UHFFFAOYSA-N 1 0 298.818 1.931 20 70 CDIDRO Cc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000161117354 525670503 /nfs/dbraw/zinc/67/05/03/525670503.db2.gz MSTSPPOKQKZFGM-AWEZNQCLSA-N 1 0 261.369 1.691 20 70 CDIDRO CCOCCC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000160491926 528660892 /nfs/dbraw/zinc/66/08/92/528660892.db2.gz QAARUZHEHUJINJ-UHFFFAOYSA-N 1 0 281.400 1.836 20 70 CDIDRO CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160536442 529242257 /nfs/dbraw/zinc/24/22/57/529242257.db2.gz AKXNCISKFUEZIR-WCQYABFASA-N 1 0 254.374 1.545 20 70 CDIDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1 ZINC000159892699 361900866 /nfs/dbraw/zinc/90/08/66/361900866.db2.gz CFDMQBHXOHCIRW-YPMHNXCESA-N 1 0 275.352 1.272 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCS2)CC1 ZINC000159970455 361983363 /nfs/dbraw/zinc/98/33/63/361983363.db2.gz DNJAHAAJJZJDOE-GFCCVEGCSA-N 1 0 271.430 1.619 20 70 CDIDRO CO[C@]1(C[NH2+][C@@H]2CCCc3cccnc32)CCOC1 ZINC000160126258 539115415 /nfs/dbraw/zinc/11/54/15/539115415.db2.gz FRELQUAHAVZJOE-HIFRSBDPSA-N 1 0 262.353 1.854 20 70 CDIDRO NC(=O)CN(CCC[NH+]1CCCCC1)C1CCCC1 ZINC000160907485 539116974 /nfs/dbraw/zinc/11/69/74/539116974.db2.gz PEQYDSOGRBWWIK-UHFFFAOYSA-N 1 0 267.417 1.592 20 70 CDIDRO CCc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccccc1 ZINC000160090583 529479994 /nfs/dbraw/zinc/47/99/94/529479994.db2.gz VNRJTOWSRYMMLJ-UHFFFAOYSA-N 1 0 286.379 1.902 20 70 CDIDRO CCOC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160067000 362014211 /nfs/dbraw/zinc/01/42/11/362014211.db2.gz UJICDNMLHRNHPY-VXGBXAGGSA-N 1 0 274.430 1.342 20 70 CDIDRO CCc1nnc(CN2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000160195362 362051169 /nfs/dbraw/zinc/05/11/69/362051169.db2.gz DDCTWUWGYMUXRB-UHFFFAOYSA-N 1 0 279.432 1.921 20 70 CDIDRO CC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160889035 362195851 /nfs/dbraw/zinc/19/58/51/362195851.db2.gz FVCREILIOQMHES-UONOGXRCSA-N 1 0 295.427 1.824 20 70 CDIDRO CC(=O)Nc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000159670317 362357599 /nfs/dbraw/zinc/35/75/99/362357599.db2.gz GWCYCASBPSHEGP-UHFFFAOYSA-N 1 0 272.352 1.977 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000159724172 362359956 /nfs/dbraw/zinc/35/99/56/362359956.db2.gz SXHVTSNSHRIBQB-AWEZNQCLSA-N 1 0 264.369 1.742 20 70 CDIDRO Cc1nnc2c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)nccn12 ZINC000218058038 282342610 /nfs/dbraw/zinc/34/26/10/282342610.db2.gz NTTIWCHJXXWSGJ-GXSJLCMTSA-N 1 0 260.345 1.327 20 70 CDIDRO COC(CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000161172261 362452324 /nfs/dbraw/zinc/45/23/24/362452324.db2.gz NTHATQNDLJICMF-AWEZNQCLSA-N 1 0 278.396 1.812 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000161028416 362484868 /nfs/dbraw/zinc/48/48/68/362484868.db2.gz QFCDYMNOOQCGNV-NWINJMCUSA-N 1 0 254.374 1.327 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160995713 530056252 /nfs/dbraw/zinc/05/62/52/530056252.db2.gz GPDPXCGADVTHMN-OAHLLOKOSA-N 1 0 271.364 1.921 20 70 CDIDRO CCC[C@H](C(=O)OCC)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159686616 363191731 /nfs/dbraw/zinc/19/17/31/363191731.db2.gz CIGCLJWVYQWBRW-XQQFMLRXSA-N 1 0 257.374 1.811 20 70 CDIDRO COc1ccc(C(=O)NCCC[NH3+])cc1OC(F)F ZINC000160056003 188453859 /nfs/dbraw/zinc/45/38/59/188453859.db2.gz RDAZMBQMTIZUBU-UHFFFAOYSA-N 1 0 274.267 1.375 20 70 CDIDRO COc1ccc([C@@H](C)CC(=O)NCCC[NH3+])cc1 ZINC000160110371 188455829 /nfs/dbraw/zinc/45/58/29/188455829.db2.gz CGTPIMAVALXCTI-NSHDSACASA-N 1 0 250.342 1.654 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]1 ZINC000161002799 188502967 /nfs/dbraw/zinc/50/29/67/188502967.db2.gz WFKTYKVDOWVVGG-ZCFIWIBFSA-N 1 0 279.287 1.530 20 70 CDIDRO Cc1nn(C)c2ncc(C[NH2+]Cc3cnn(C)c3C)cc12 ZINC000161478544 188529998 /nfs/dbraw/zinc/52/99/98/188529998.db2.gz YMJKROAOGZKIAC-UHFFFAOYSA-N 1 0 284.367 1.608 20 70 CDIDRO CCCCOCCNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159795521 363313122 /nfs/dbraw/zinc/31/31/22/363313122.db2.gz ZKHCWWFRRJNMIA-KGLIPLIRSA-N 1 0 286.416 1.012 20 70 CDIDRO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000159799021 363315628 /nfs/dbraw/zinc/31/56/28/363315628.db2.gz NCHPUIOLDUEMPX-IJLUTSLNSA-N 1 0 283.416 1.724 20 70 CDIDRO COCC[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000160159070 538847549 /nfs/dbraw/zinc/84/75/49/538847549.db2.gz DDCPWWZOJZQISZ-JSGCOSHPSA-N 1 0 268.401 1.935 20 70 CDIDRO C[C@@H](O)CC(C)(C)CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000160950191 357542543 /nfs/dbraw/zinc/54/25/43/357542543.db2.gz XAACDJLSELLZRA-CHWSQXEVSA-N 1 0 284.444 1.926 20 70 CDIDRO CCCCOCCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160318343 482794730 /nfs/dbraw/zinc/79/47/30/482794730.db2.gz WWMOZVMZGRRTRA-GFCCVEGCSA-N 1 0 296.333 1.851 20 70 CDIDRO CCN(Cc1nncn1C)Cc1ccc(OC)c(OC)c1 ZINC000160740581 360866076 /nfs/dbraw/zinc/86/60/76/360866076.db2.gz HJZSLQCINZBJHR-UHFFFAOYSA-N 1 0 290.367 1.854 20 70 CDIDRO CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000160219897 363765469 /nfs/dbraw/zinc/76/54/69/363765469.db2.gz NZWOKLCDBVWMTB-LSDHHAIUSA-N 1 0 297.443 1.929 20 70 CDIDRO CCOCCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159516271 361725163 /nfs/dbraw/zinc/72/51/63/361725163.db2.gz FDLRJKJHSQFGBE-UHFFFAOYSA-N 1 0 257.378 1.150 20 70 CDIDRO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH2+]CC1 ZINC000159455321 364209702 /nfs/dbraw/zinc/20/97/02/364209702.db2.gz JXVPUULWKUVJTR-ZDUSSCGKSA-N 1 0 262.353 1.584 20 70 CDIDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000159587331 364238349 /nfs/dbraw/zinc/23/83/49/364238349.db2.gz QJXGVKBLPNYROA-UHFFFAOYSA-N 1 0 296.367 1.481 20 70 CDIDRO CCOC(=O)N[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159747156 364260571 /nfs/dbraw/zinc/26/05/71/364260571.db2.gz WPYNJNWVLNLTPO-LBPRGKRZSA-N 1 0 266.345 1.094 20 70 CDIDRO COc1cc2c(cc1OC)CN(Cc1cc[nH]n1)CC2 ZINC000159784388 364265251 /nfs/dbraw/zinc/26/52/51/364265251.db2.gz DWBUJKIIFDMQPQ-UHFFFAOYSA-N 1 0 273.336 1.985 20 70 CDIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1C[NH2+]CCO1 ZINC000159825554 364270319 /nfs/dbraw/zinc/27/03/19/364270319.db2.gz RIWCFBDWBIQQSJ-HUUCEWRRSA-N 1 0 274.364 1.112 20 70 CDIDRO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159829874 364271288 /nfs/dbraw/zinc/27/12/88/364271288.db2.gz ADHSMDYJSGWAPZ-GFCCVEGCSA-N 1 0 275.396 1.852 20 70 CDIDRO C[C@@H](c1cccnc1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159847564 364273492 /nfs/dbraw/zinc/27/34/92/364273492.db2.gz OUJBJVSOGVBOBU-HNNXBMFYSA-N 1 0 285.395 1.657 20 70 CDIDRO Cn1cc(N2CCC[C@H]([N@H+](C)CC(C)(C)C)C2=O)cn1 ZINC000160316345 364334901 /nfs/dbraw/zinc/33/49/01/364334901.db2.gz KKVIMIUVBBSEIB-ZDUSSCGKSA-N 1 0 278.400 1.893 20 70 CDIDRO Cc1ccc(-c2nc(C(=O)NCCC[NH3+])cs2)o1 ZINC000160170298 364314497 /nfs/dbraw/zinc/31/44/97/364314497.db2.gz CMSOISOFDCDZMA-UHFFFAOYSA-N 1 0 265.338 1.790 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000160197151 364316625 /nfs/dbraw/zinc/31/66/25/364316625.db2.gz GAKFRUSJCISMKX-OLZOCXBDSA-N 1 0 292.379 1.708 20 70 CDIDRO COC(CN1CCOC[C@@H]1c1ccc(C)o1)OC ZINC000161149955 364454579 /nfs/dbraw/zinc/45/45/79/364454579.db2.gz AFOFFXDKUOBQJB-LLVKDONJSA-N 1 0 255.314 1.580 20 70 CDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccncc1C ZINC000161501690 364503809 /nfs/dbraw/zinc/50/38/09/364503809.db2.gz IIFMYFWGFBOTKD-HNNXBMFYSA-N 1 0 290.411 1.716 20 70 CDIDRO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161510775 364505228 /nfs/dbraw/zinc/50/52/28/364505228.db2.gz GTUXJOOXYNRBHW-JGGQBBKZSA-N 1 0 276.380 1.614 20 70 CDIDRO Cc1nn(C)c(C)c1C[NH2+]CCCc1cnn(C)c1 ZINC000161139667 367250953 /nfs/dbraw/zinc/25/09/53/367250953.db2.gz TVETWJQBQDDPHG-UHFFFAOYSA-N 1 0 261.373 1.493 20 70 CDIDRO CSC1(CNC(=O)CCCCCC[NH3+])CCOCC1 ZINC000161211409 367631022 /nfs/dbraw/zinc/63/10/22/367631022.db2.gz CRXOBMIKXXRGMV-UHFFFAOYSA-N 1 0 288.457 1.924 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161506751 375650544 /nfs/dbraw/zinc/65/05/44/375650544.db2.gz BCQDUFRZWHBXKD-DOMZBBRYSA-N 1 0 290.363 1.792 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCCc1nc(C2CC2)no1 ZINC000160463760 377070319 /nfs/dbraw/zinc/07/03/19/377070319.db2.gz LRZHVGLOUPVVDT-UHFFFAOYSA-N 1 0 294.399 1.903 20 70 CDIDRO CNC(=O)c1cccc(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000160368948 391509122 /nfs/dbraw/zinc/50/91/22/391509122.db2.gz FKQVGMSUYHIZCW-CYBMUJFWSA-N 1 0 291.395 1.078 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnc(N(C)C)n1C ZINC000217744852 140164529 /nfs/dbraw/zinc/16/45/29/140164529.db2.gz QBRFEOVHIGMQPH-GFCCVEGCSA-N 1 0 267.421 1.306 20 70 CDIDRO COc1cccc(OCCCNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160207630 147712663 /nfs/dbraw/zinc/71/26/63/147712663.db2.gz SMZGRQMYWVNKKV-ZDUSSCGKSA-N 1 0 292.379 1.722 20 70 CDIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000161428606 276650235 /nfs/dbraw/zinc/65/02/35/276650235.db2.gz JGJFKTXIRYRSCM-RYUDHWBXSA-N 1 0 252.358 1.694 20 70 CDIDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccccn1 ZINC000159387245 292757446 /nfs/dbraw/zinc/75/74/46/292757446.db2.gz RVARKZDWXAYTTG-GHMZBOCLSA-N 1 0 256.371 1.555 20 70 CDIDRO Cc1cccc(C[NH+]2CCN(Cc3nncn3C)CC2)c1 ZINC000160697309 292792698 /nfs/dbraw/zinc/79/26/98/292792698.db2.gz YYCPGPFIZADXKT-UHFFFAOYSA-N 1 0 285.395 1.441 20 70 CDIDRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000218597504 329484969 /nfs/dbraw/zinc/48/49/69/329484969.db2.gz BEIISXPBTDRLDU-HOCLYGCPSA-N 1 0 292.423 1.807 20 70 CDIDRO CCCn1nccc1C[NH2+]CCC(=O)NC(C)(C)C ZINC000160204437 482788563 /nfs/dbraw/zinc/78/85/63/482788563.db2.gz WCAZJOLWLGSNMI-UHFFFAOYSA-N 1 0 266.389 1.688 20 70 CDIDRO Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160848073 482832676 /nfs/dbraw/zinc/83/26/76/482832676.db2.gz FQPVXGCMEAULON-UWJYBYFXSA-N 1 0 265.357 1.781 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000160920860 482840764 /nfs/dbraw/zinc/84/07/64/482840764.db2.gz LVKMJNFEPGSLOJ-ZJUUUORDSA-N 1 0 254.280 1.965 20 70 CDIDRO Cc1sc(=O)n(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161011387 482853188 /nfs/dbraw/zinc/85/31/88/482853188.db2.gz ZTNGACDBNKYQDN-NWDGAFQWSA-N 1 0 297.424 1.303 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000161389247 519645023 /nfs/dbraw/zinc/64/50/23/519645023.db2.gz QMHBNUSCVCNLFO-JXQTWKCFSA-N 1 0 254.374 1.592 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1 ZINC000159583778 528894164 /nfs/dbraw/zinc/89/41/64/528894164.db2.gz ITTWIIXAOLLYGU-GFCCVEGCSA-N 1 0 273.446 1.864 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161363623 342483541 /nfs/dbraw/zinc/48/35/41/342483541.db2.gz JHCYIQYLHWYXMS-SNVBAGLBSA-N 1 0 267.373 1.727 20 70 CDIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1([NH3+])CC1 ZINC000161057719 361751827 /nfs/dbraw/zinc/75/18/27/361751827.db2.gz WYIAJRWQODQJJC-UHFFFAOYSA-N 1 0 289.379 1.582 20 70 CDIDRO O=C(/C=C/c1cccnc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159651538 361758144 /nfs/dbraw/zinc/75/81/44/361758144.db2.gz OBRWGSPPRXBLBL-RNBGUABESA-N 1 0 257.337 1.448 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Sc1ccccc1 ZINC000161120496 361875550 /nfs/dbraw/zinc/87/55/50/361875550.db2.gz SQTVSTOLGICAHY-NWDGAFQWSA-N 1 0 264.394 1.893 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161157671 361900270 /nfs/dbraw/zinc/90/02/70/361900270.db2.gz LHDNYYRWOMIPCS-STQMWFEESA-N 1 0 292.379 1.721 20 70 CDIDRO CCC(CC)[C@H](O)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000159760385 362364789 /nfs/dbraw/zinc/36/47/89/362364789.db2.gz LUELQIYFNBUHQX-CQSZACIVSA-N 1 0 264.369 1.672 20 70 CDIDRO CNC(=O)CN1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000159959057 362382326 /nfs/dbraw/zinc/38/23/26/362382326.db2.gz MIZHBPOCNKPKRU-UHFFFAOYSA-N 1 0 297.349 1.265 20 70 CDIDRO C[C@@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1cccs1 ZINC000160134806 362397073 /nfs/dbraw/zinc/39/70/73/362397073.db2.gz FMPLHJBIJJFFEZ-PWSUYJOCSA-N 1 0 281.425 1.594 20 70 CDIDRO COCCOCCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000160151249 362399065 /nfs/dbraw/zinc/39/90/65/362399065.db2.gz WOKOLWQBRMVPQQ-KBPBESRZSA-N 1 0 286.416 1.453 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000161299877 362438716 /nfs/dbraw/zinc/43/87/16/362438716.db2.gz ZQNJDZJOLXICKE-ZDUSSCGKSA-N 1 0 294.399 1.085 20 70 CDIDRO COC(=O)Cn1cc(CC[NH+]2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000160112663 345585487 /nfs/dbraw/zinc/58/54/87/345585487.db2.gz KJQXSPCBPIVMPF-RYUDHWBXSA-N 1 0 280.372 1.257 20 70 CDIDRO COCC[NH2+]CC(=O)NC[C@@H](C)Cc1cccs1 ZINC000161096315 362964598 /nfs/dbraw/zinc/96/45/98/362964598.db2.gz JBIDKODJFVWLAG-NSHDSACASA-N 1 0 270.398 1.279 20 70 CDIDRO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159652349 363132571 /nfs/dbraw/zinc/13/25/71/363132571.db2.gz SKUJFHZPHRHZRN-RYUDHWBXSA-N 1 0 281.400 1.875 20 70 CDIDRO CCCOc1ccc(OCC(=O)NCCC[NH3+])cc1 ZINC000160001498 188451238 /nfs/dbraw/zinc/45/12/38/188451238.db2.gz NZBFANYQYOULJL-UHFFFAOYSA-N 1 0 266.341 1.319 20 70 CDIDRO [NH3+]CCCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160400284 188471047 /nfs/dbraw/zinc/47/10/47/188471047.db2.gz IGJRVDOCRIEGQA-CYBMUJFWSA-N 1 0 264.344 1.956 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000161256638 188518276 /nfs/dbraw/zinc/51/82/76/188518276.db2.gz LOCKKASIEFTAFU-CQSZACIVSA-N 1 0 299.378 1.400 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CO)C(C)C ZINC000160981800 358782344 /nfs/dbraw/zinc/78/23/44/358782344.db2.gz LEURHQGRDDCQKR-LSDHHAIUSA-N 1 0 299.459 1.813 20 70 CDIDRO Cc1nn(C)c(C)c1C(=O)NCC1([NH3+])CCCCC1 ZINC000159687702 359459914 /nfs/dbraw/zinc/45/99/14/359459914.db2.gz LNJFIKVYTUXKMZ-UHFFFAOYSA-N 1 0 264.373 1.428 20 70 CDIDRO [NH3+]CCCNC(=O)/C=C/c1ccc(Br)s1 ZINC000160132436 237168126 /nfs/dbraw/zinc/16/81/26/237168126.db2.gz YTCPGDBNQXCYOL-HWKANZROSA-N 1 0 289.198 1.989 20 70 CDIDRO Cc1c(C[NH2+]C[C@H](O)c2cccc(F)c2)cnn1C ZINC000161055724 360708827 /nfs/dbraw/zinc/70/88/27/360708827.db2.gz RBDNPFNCAOBTLE-AWEZNQCLSA-N 1 0 263.316 1.691 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000159430897 361697170 /nfs/dbraw/zinc/69/71/70/361697170.db2.gz VBRDXWOSGFIGNG-DOMZBBRYSA-N 1 0 294.370 1.971 20 70 CDIDRO O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CCC[NH2+]C1 ZINC000159504395 361723710 /nfs/dbraw/zinc/72/37/10/361723710.db2.gz CEIXAUUZGDLHAB-NSHDSACASA-N 1 0 271.324 1.410 20 70 CDIDRO C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1cccnc1 ZINC000159458987 364211313 /nfs/dbraw/zinc/21/13/13/364211313.db2.gz WTSAHZKFTAMIIC-GXTWGEPZSA-N 1 0 277.368 1.197 20 70 CDIDRO C[C@H](CCO)NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159591595 364237637 /nfs/dbraw/zinc/23/76/37/364237637.db2.gz CBHUMMHBHVZACZ-KGLIPLIRSA-N 1 0 293.411 1.577 20 70 CDIDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159814694 364270485 /nfs/dbraw/zinc/27/04/85/364270485.db2.gz BTZMVRGBCQRMDL-NSHDSACASA-N 1 0 292.383 1.029 20 70 CDIDRO CCc1nn(C)c(CC)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159846289 364273231 /nfs/dbraw/zinc/27/32/31/364273231.db2.gz NWYFUSZAJRNREM-UHFFFAOYSA-N 1 0 292.427 1.632 20 70 CDIDRO CCCn1ccc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc21 ZINC000159852595 364273911 /nfs/dbraw/zinc/27/39/11/364273911.db2.gz BWYABHAOWLAABK-UONOGXRCSA-N 1 0 287.363 1.713 20 70 CDIDRO CC(C)([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160383030 364343798 /nfs/dbraw/zinc/34/37/98/364343798.db2.gz BGMZMLWOYBOVQA-LBPRGKRZSA-N 1 0 264.344 1.954 20 70 CDIDRO CC(C)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]n1 ZINC000159946965 364284210 /nfs/dbraw/zinc/28/42/10/364284210.db2.gz CQUZJWWLCMCLFM-GFCCVEGCSA-N 1 0 294.399 1.110 20 70 CDIDRO CCCOC(=O)[C@H](C)N(CC)Cc1cnn(C)c1 ZINC000160097709 364304990 /nfs/dbraw/zinc/30/49/90/364304990.db2.gz SFCPRCMTGVJSFH-NSHDSACASA-N 1 0 253.346 1.584 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C(/C)c2cccc(OC)c2)C1 ZINC000160685597 364394730 /nfs/dbraw/zinc/39/47/30/364394730.db2.gz PQPDVHYHPZITOE-FWLQQBITSA-N 1 0 274.364 1.919 20 70 CDIDRO COC(=O)N(C)Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1 ZINC000160950201 364431988 /nfs/dbraw/zinc/43/19/88/364431988.db2.gz JFHIVTWWJWXERO-VIFPVBQESA-N 1 0 265.313 1.171 20 70 CDIDRO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000161424116 364490559 /nfs/dbraw/zinc/49/05/59/364490559.db2.gz BMAFTVCHAYUYKC-QEJZJMRPSA-N 1 0 274.364 1.379 20 70 CDIDRO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217773170 367257963 /nfs/dbraw/zinc/25/79/63/367257963.db2.gz YPAUFEZWKFZQEP-APHBMKBZSA-N 1 0 290.407 1.785 20 70 CDIDRO CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217779986 367258088 /nfs/dbraw/zinc/25/80/88/367258088.db2.gz GKISWOWMXQUIKE-ZLKJLUDKSA-N 1 0 262.353 1.149 20 70 CDIDRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161470223 373757091 /nfs/dbraw/zinc/75/70/91/373757091.db2.gz NCFWONUMNYDXCZ-ZUOKHONESA-N 1 0 294.420 1.525 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161506516 375651385 /nfs/dbraw/zinc/65/13/85/375651385.db2.gz BCQDUFRZWHBXKD-IUODEOHRSA-N 1 0 290.363 1.792 20 70 CDIDRO CC(C)n1cccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160006321 376996427 /nfs/dbraw/zinc/99/64/27/376996427.db2.gz AYBWLEWASNCQBM-UHFFFAOYSA-N 1 0 293.411 1.503 20 70 CDIDRO O=C(C[C@@H]1C=CCC1)NCC1CC[NH+](CCO)CC1 ZINC000160574771 377087376 /nfs/dbraw/zinc/08/73/76/377087376.db2.gz SEODDQVADSVKMT-CYBMUJFWSA-N 1 0 266.385 1.163 20 70 CDIDRO O=C(NC[C@@H](O)C1CCCCC1)[C@H]1CCn2ccnc2C1 ZINC000161302529 377185323 /nfs/dbraw/zinc/18/53/23/377185323.db2.gz NLUIQLAWUUYPQS-UONOGXRCSA-N 1 0 291.395 1.503 20 70 CDIDRO CC[C@H](C)OCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161487338 377682529 /nfs/dbraw/zinc/68/25/29/377682529.db2.gz QTDDIODUWLCJAT-XQQFMLRXSA-N 1 0 256.390 1.791 20 70 CDIDRO CC[C@H](C)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160467544 287550044 /nfs/dbraw/zinc/55/00/44/287550044.db2.gz ZPFUXPMAFCSSDQ-OZTPJHRESA-N 1 0 268.401 1.681 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2F)[C@@H](C[NH3+])C1 ZINC000161133610 277291777 /nfs/dbraw/zinc/29/17/77/277291777.db2.gz LZMIRBODTUCDKU-GHMZBOCLSA-N 1 0 266.316 1.404 20 70 CDIDRO COC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000159596453 277576013 /nfs/dbraw/zinc/57/60/13/277576013.db2.gz RSVQPWDTOCZWSR-CZUORRHYSA-N 1 0 288.391 1.586 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000159970305 279285426 /nfs/dbraw/zinc/28/54/26/279285426.db2.gz DNJAHAAJJZJDOE-LBPRGKRZSA-N 1 0 271.430 1.619 20 70 CDIDRO C[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000160266269 292781850 /nfs/dbraw/zinc/78/18/50/292781850.db2.gz HYZNSAOKZJVECX-UONOGXRCSA-N 1 0 295.427 1.045 20 70 CDIDRO CN(C)c1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)c(F)c1 ZINC000160350474 292785178 /nfs/dbraw/zinc/78/51/78/292785178.db2.gz SLMKGTLUSWTPND-UHFFFAOYSA-N 1 0 279.359 1.716 20 70 CDIDRO CC[NH+](CC)CCN(CCOC)c1cc(C)ncn1 ZINC000160429431 292786921 /nfs/dbraw/zinc/78/69/21/292786921.db2.gz UBIOYJQKIFNDEJ-UHFFFAOYSA-N 1 0 266.389 1.580 20 70 CDIDRO CC[C@@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991113 482775485 /nfs/dbraw/zinc/77/54/85/482775485.db2.gz XDAGWDMSLMRGSJ-OLZOCXBDSA-N 1 0 292.379 1.983 20 70 CDIDRO CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C[NH3+])C1CC1 ZINC000160121217 482784862 /nfs/dbraw/zinc/78/48/62/482784862.db2.gz GMTYXQMGHSAMMB-CYBMUJFWSA-N 1 0 272.352 1.092 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022000 519817497 /nfs/dbraw/zinc/81/74/97/519817497.db2.gz TYGZJYNOYVNVMO-QWRKXWFKSA-N 1 0 268.307 1.920 20 70 CDIDRO CCC[NH2+]CCNCc1ccc(Br)cn1 ZINC000161342392 519917976 /nfs/dbraw/zinc/91/79/76/519917976.db2.gz DNRJUZUNLPHXMS-UHFFFAOYSA-N 1 0 272.190 1.933 20 70 CDIDRO CO[C@H]1CCN(Cc2noc(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161176998 523998806 /nfs/dbraw/zinc/99/88/06/523998806.db2.gz OWGVXQXNANDYDR-MNOVXSKESA-N 1 0 268.361 1.131 20 70 CDIDRO Cc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000161117488 525671385 /nfs/dbraw/zinc/67/13/85/525671385.db2.gz MSTSPPOKQKZFGM-CQSZACIVSA-N 1 0 261.369 1.691 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000159667958 526739601 /nfs/dbraw/zinc/73/96/01/526739601.db2.gz KGOZKCSDEBZDTM-WWGRRREGSA-N 1 0 282.428 1.944 20 70 CDIDRO CCN(CC[NH2+]Cc1ccnn1C)C(=O)OC(C)(C)C ZINC000218320083 535736478 /nfs/dbraw/zinc/73/64/78/535736478.db2.gz UOTREPFBMVHMKG-UHFFFAOYSA-N 1 0 282.388 1.767 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000161129610 361876925 /nfs/dbraw/zinc/87/69/25/361876925.db2.gz BIFSGUMXFNYNLB-WFASDCNBSA-N 1 0 292.379 1.721 20 70 CDIDRO CC(C)CNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161380287 539117589 /nfs/dbraw/zinc/11/75/89/539117589.db2.gz JHGKCKIFUPTDJY-CQSZACIVSA-N 1 0 290.411 1.364 20 70 CDIDRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160083308 362020574 /nfs/dbraw/zinc/02/05/74/362020574.db2.gz PLCLVYCHTVPTPB-BZPMIXESSA-N 1 0 266.385 1.545 20 70 CDIDRO O=C(c1ccncc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218399441 342439605 /nfs/dbraw/zinc/43/96/05/342439605.db2.gz UDLPVFXKKOUNNP-KCJUWKMLSA-N 1 0 251.717 1.169 20 70 CDIDRO CC[C@H](C(=O)NCC(CC)(CC)CCO)[NH+](C)C ZINC000160910279 362205003 /nfs/dbraw/zinc/20/50/03/362205003.db2.gz OKBIFLCLILZUGX-GFCCVEGCSA-N 1 0 258.406 1.632 20 70 CDIDRO COCCN(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000159375827 362317019 /nfs/dbraw/zinc/31/70/19/362317019.db2.gz YKGOFMGUVULWDM-CYBMUJFWSA-N 1 0 268.376 1.925 20 70 CDIDRO Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160025025 362387988 /nfs/dbraw/zinc/38/79/88/362387988.db2.gz LXIBUKDESCELTK-AWEZNQCLSA-N 1 0 275.396 1.911 20 70 CDIDRO CC1CCC(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)CC1 ZINC000160100221 362394118 /nfs/dbraw/zinc/39/41/18/362394118.db2.gz URXFSFQBQHZJOZ-UBHUBRDASA-N 1 0 267.417 1.350 20 70 CDIDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(N)cc2)CCCC1 ZINC000160679541 362467106 /nfs/dbraw/zinc/46/71/06/362467106.db2.gz XFHRBCBBHOMUCQ-UHFFFAOYSA-N 1 0 297.424 1.422 20 70 CDIDRO C[C@@H](CNC(=O)CCC(C)(C)C)N1CC[NH+](C)CC1 ZINC000160152904 345610928 /nfs/dbraw/zinc/61/09/28/345610928.db2.gz UFJPBTHRTWKOLH-ZDUSSCGKSA-N 1 0 269.433 1.565 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)Cc1cccs1 ZINC000161094067 362964251 /nfs/dbraw/zinc/96/42/51/362964251.db2.gz SEOREMPSYPMBAZ-GHMZBOCLSA-N 1 0 254.399 1.898 20 70 CDIDRO CC(C)CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)C(C)C ZINC000159630998 363085774 /nfs/dbraw/zinc/08/57/74/363085774.db2.gz GIKITILMZPLNFW-CABCVRRESA-N 1 0 284.444 1.972 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159634933 363090491 /nfs/dbraw/zinc/09/04/91/363090491.db2.gz WSYKPJZRQNTGKM-MNOVXSKESA-N 1 0 271.430 1.521 20 70 CDIDRO COc1ccccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159821404 188442960 /nfs/dbraw/zinc/44/29/60/188442960.db2.gz XBVWMAUUIWPNNT-UHFFFAOYSA-N 1 0 262.353 1.783 20 70 CDIDRO CC[C@H](C(=O)NCCN1c2ccccc2CC1=O)[NH+](C)C ZINC000160140525 188456777 /nfs/dbraw/zinc/45/67/77/188456777.db2.gz UVDWZFBKTIDCQN-CYBMUJFWSA-N 1 0 289.379 1.032 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000161058090 188505510 /nfs/dbraw/zinc/50/55/10/188505510.db2.gz VFGPOWJDADQTAY-KBVBSXBZSA-N 1 0 270.760 1.879 20 70 CDIDRO C[C@H](CC(=O)NCC(C)(C)C[C@H](C)O)C1CC[NH2+]CC1 ZINC000160950423 357542107 /nfs/dbraw/zinc/54/21/07/357542107.db2.gz XAACDJLSELLZRA-OLZOCXBDSA-N 1 0 284.444 1.926 20 70 CDIDRO CCOc1cc(/C=C/C(=O)NCC(C)(C)[NH3+])ccc1OC ZINC000160057969 363624884 /nfs/dbraw/zinc/62/48/84/363624884.db2.gz SNJRTJUHGXOHCS-VQHVLOKHSA-N 1 0 292.379 1.961 20 70 CDIDRO CCn1nc(C(C)C)cc1C(=O)N1CC[NH2+]CC1 ZINC000159448859 359334827 /nfs/dbraw/zinc/33/48/27/359334827.db2.gz FTGMUDMCLQVMSC-UHFFFAOYSA-N 1 0 250.346 1.072 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000159927457 360018052 /nfs/dbraw/zinc/01/80/52/360018052.db2.gz DYIXMUWICSMKFC-ZDUSSCGKSA-N 1 0 282.409 1.661 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161068152 360764183 /nfs/dbraw/zinc/76/41/83/360764183.db2.gz QKVAMQCTUWLAPJ-MGPQQGTHSA-N 1 0 266.385 1.450 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161003747 361611543 /nfs/dbraw/zinc/61/15/43/361611543.db2.gz PLCQTOBDUFLMMA-ZCFIWIBFSA-N 1 0 281.303 1.906 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159362903 364191510 /nfs/dbraw/zinc/19/15/10/364191510.db2.gz BKARMKKWVBQQKY-LLVKDONJSA-N 1 0 272.352 1.729 20 70 CDIDRO CCOc1cc(CNC(=O)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000159588246 364238181 /nfs/dbraw/zinc/23/81/81/364238181.db2.gz LJCNLQSKFGTINW-ZDUSSCGKSA-N 1 0 292.379 1.710 20 70 CDIDRO [NH3+]C1(CNC(=O)c2ccnc(-n3cccn3)c2)CCCCC1 ZINC000159725187 364257727 /nfs/dbraw/zinc/25/77/27/364257727.db2.gz DGQSWIHXVWDVKG-UHFFFAOYSA-N 1 0 299.378 1.659 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000159895970 364278143 /nfs/dbraw/zinc/27/81/43/364278143.db2.gz BGJGJDUPDRRGHV-NWDGAFQWSA-N 1 0 275.352 1.129 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000160179831 364316997 /nfs/dbraw/zinc/31/69/97/364316997.db2.gz BPNIHVGTTRACRC-SECBINFHSA-N 1 0 252.339 1.271 20 70 CDIDRO C[NH+](C)CC(=O)NCc1csc(-c2ccco2)n1 ZINC000160516075 364365855 /nfs/dbraw/zinc/36/58/55/364365855.db2.gz YWTNIZSOGBGREA-UHFFFAOYSA-N 1 0 265.338 1.581 20 70 CDIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)CO)c1ccccc1 ZINC000160529702 364367772 /nfs/dbraw/zinc/36/77/72/364367772.db2.gz BPPDXLNKWUSIKS-UKRRQHHQSA-N 1 0 278.396 1.814 20 70 CDIDRO Cn1cnc(-c2ccc(NC(=O)NCC[NH+](C)C)cc2)n1 ZINC000160572907 364375406 /nfs/dbraw/zinc/37/54/06/364375406.db2.gz BQUCTMJKAAPMGU-UHFFFAOYSA-N 1 0 288.355 1.165 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)C1 ZINC000160615390 364382950 /nfs/dbraw/zinc/38/29/50/364382950.db2.gz TZVVILGGFSBJBT-LBPRGKRZSA-N 1 0 289.335 1.077 20 70 CDIDRO COc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160687632 364394409 /nfs/dbraw/zinc/39/44/09/364394409.db2.gz HYKUOOMIKZYAHX-LLVKDONJSA-N 1 0 298.408 1.333 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160420969 364350696 /nfs/dbraw/zinc/35/06/96/364350696.db2.gz WFFWSXAUJMRHGL-JTQLQIEISA-N 1 0 296.346 1.006 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000161477939 364499637 /nfs/dbraw/zinc/49/96/37/364499637.db2.gz JDBURSVCRJDCFU-INIZCTEOSA-N 1 0 262.397 1.928 20 70 CDIDRO CCN(CC[NH2+]C[C@H](O)COc1ccccc1)C1CC1 ZINC000218378088 373745394 /nfs/dbraw/zinc/74/53/94/373745394.db2.gz HWUJJZHWGBYMTG-HNNXBMFYSA-N 1 0 278.396 1.500 20 70 CDIDRO COc1cccc([C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160174311 377029164 /nfs/dbraw/zinc/02/91/64/377029164.db2.gz JZLBDJSJOBTFJF-WCQYABFASA-N 1 0 262.353 1.748 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000160217244 377040849 /nfs/dbraw/zinc/04/08/49/377040849.db2.gz PFMWLEXBRREJRC-LLVKDONJSA-N 1 0 278.356 1.219 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCCc1nc(C2CC2)no1 ZINC000160004899 376998149 /nfs/dbraw/zinc/99/81/49/376998149.db2.gz FKNMZWBKCUIWQD-UHFFFAOYSA-N 1 0 266.345 1.123 20 70 CDIDRO C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccsc1 ZINC000160539234 377084368 /nfs/dbraw/zinc/08/43/68/377084368.db2.gz RLOFGFATTQDQIC-GFCCVEGCSA-N 1 0 296.436 1.672 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000160609855 377098045 /nfs/dbraw/zinc/09/80/45/377098045.db2.gz ZATUBPQWONGFEI-UHFFFAOYSA-N 1 0 296.798 1.774 20 70 CDIDRO COCC(C)(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161294954 377562416 /nfs/dbraw/zinc/56/24/16/377562416.db2.gz VITPHTZSDSUNBX-UHFFFAOYSA-N 1 0 254.374 1.402 20 70 CDIDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1N ZINC000217806632 412967452 /nfs/dbraw/zinc/96/74/52/412967452.db2.gz UGZRRJLQDAWMOX-GJZGRUSLSA-N 1 0 273.380 1.934 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000161115313 390926937 /nfs/dbraw/zinc/92/69/37/390926937.db2.gz HIOUXIBLELIGQN-VHSXEESVSA-N 1 0 283.759 1.313 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000159382620 390975129 /nfs/dbraw/zinc/97/51/29/390975129.db2.gz YJKZZMKWGWRDAU-UWVGGRQHSA-N 1 0 297.330 1.175 20 70 CDIDRO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160287620 390978592 /nfs/dbraw/zinc/97/85/92/390978592.db2.gz OQXWCUZQDOAUQG-FZMZJTMJSA-N 1 0 264.344 1.954 20 70 CDIDRO O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000161021722 391579256 /nfs/dbraw/zinc/57/92/56/391579256.db2.gz FWMCIMIGUSWWFT-GBIKHYSHSA-N 1 0 280.318 1.937 20 70 CDIDRO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218046048 140165509 /nfs/dbraw/zinc/16/55/09/140165509.db2.gz JYPZPRHVLRNCSQ-NWDGAFQWSA-N 1 0 284.400 1.565 20 70 CDIDRO O=C(NC[C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000159732894 147703260 /nfs/dbraw/zinc/70/32/60/147703260.db2.gz FIVMLWCGTOHWDX-KGLIPLIRSA-N 1 0 258.365 1.832 20 70 CDIDRO O=C(C[C@H]1C=CCC1)NCC1CC[NH+](CCO)CC1 ZINC000160574889 147721172 /nfs/dbraw/zinc/72/11/72/147721172.db2.gz SEODDQVADSVKMT-ZDUSSCGKSA-N 1 0 266.385 1.163 20 70 CDIDRO CCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160154422 286663860 /nfs/dbraw/zinc/66/38/60/286663860.db2.gz BCIOVPZSRNMSGI-GFCCVEGCSA-N 1 0 260.403 1.286 20 70 CDIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000159894866 292704917 /nfs/dbraw/zinc/70/49/17/292704917.db2.gz HZVFZOPTGKDEPC-DZKIICNBSA-N 1 0 288.391 1.688 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000159825817 292770758 /nfs/dbraw/zinc/77/07/58/292770758.db2.gz BHPGNYGKBUTNHC-ZDUSSCGKSA-N 1 0 289.379 1.209 20 70 CDIDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160162810 482787052 /nfs/dbraw/zinc/78/70/52/482787052.db2.gz NURPMJBFEXJDEL-AWEZNQCLSA-N 1 0 281.396 1.651 20 70 CDIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000160990708 482849896 /nfs/dbraw/zinc/84/98/96/482849896.db2.gz XHEIFLBZWAIYBJ-QWHCGFSZSA-N 1 0 299.378 1.575 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)CC2([NH3+])CCC2)c1 ZINC000161132963 482863057 /nfs/dbraw/zinc/86/30/57/482863057.db2.gz HINQHFGZWVJOJK-GFCCVEGCSA-N 1 0 292.379 1.850 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000161471175 482879185 /nfs/dbraw/zinc/87/91/85/482879185.db2.gz DFXIZTATXJJQJI-KBPBESRZSA-N 1 0 284.363 1.872 20 70 CDIDRO C[C@@H](OC[C@H]1CCCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159760759 533898980 /nfs/dbraw/zinc/89/89/80/533898980.db2.gz SFPHAKZAYAYCCK-ZIAGYGMSSA-N 1 0 298.427 1.738 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000160588217 519589746 /nfs/dbraw/zinc/58/97/46/519589746.db2.gz NDIYDLAMUDYFBS-AWEZNQCLSA-N 1 0 297.443 1.387 20 70 CDIDRO CC[C@H](C)[NH+]1CCN(C(=O)NCC(F)(F)F)CC1 ZINC000160518990 523950242 /nfs/dbraw/zinc/95/02/42/523950242.db2.gz ZXHIDAWRWGHPPU-VIFPVBQESA-N 1 0 267.295 1.674 20 70 CDIDRO COc1csc(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000161075952 524947846 /nfs/dbraw/zinc/94/78/46/524947846.db2.gz HJSDRYMPYSSHKW-ZJUUUORDSA-N 1 0 284.381 1.335 20 70 CDIDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160931471 526905440 /nfs/dbraw/zinc/90/54/40/526905440.db2.gz JVZQCMCQGXGKJU-LBPRGKRZSA-N 1 0 272.352 1.422 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161464548 527007243 /nfs/dbraw/zinc/00/72/43/527007243.db2.gz GRQFAHDONKITTM-GFCCVEGCSA-N 1 0 289.379 1.842 20 70 CDIDRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000161054726 361749920 /nfs/dbraw/zinc/74/99/20/361749920.db2.gz CWRNMNSJDJKKEK-ZJUUUORDSA-N 1 0 266.316 1.621 20 70 CDIDRO COCC[NH2+]CC(=O)N1CCCC[C@@H]1CC(C)C ZINC000160876665 398230983 /nfs/dbraw/zinc/23/09/83/398230983.db2.gz AWWGXRRKFVTCRR-CYBMUJFWSA-N 1 0 256.390 1.650 20 70 CDIDRO COc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992779 342072931 /nfs/dbraw/zinc/07/29/31/342072931.db2.gz DRJGRJXKAXCTBZ-ZYHUDNBSSA-N 1 0 278.352 1.736 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000160262202 342072970 /nfs/dbraw/zinc/07/29/70/342072970.db2.gz BHCKUBOMIJJVNR-NSHDSACASA-N 1 0 271.332 1.580 20 70 CDIDRO CCCCOCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159775706 361847543 /nfs/dbraw/zinc/84/75/43/361847543.db2.gz IVDBRYWXXCLGAA-UHFFFAOYSA-N 1 0 271.405 1.540 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCC(=O)OC(C)(C)C)CC1 ZINC000159897952 361903753 /nfs/dbraw/zinc/90/37/53/361903753.db2.gz IENBGIPSNKBJJV-UHFFFAOYSA-N 1 0 299.415 1.455 20 70 CDIDRO COC1CC[NH+](CCNC(=O)CCCn2cccc2)CC1 ZINC000159827928 539114769 /nfs/dbraw/zinc/11/47/69/539114769.db2.gz JXCVHDKRSWJVBP-UHFFFAOYSA-N 1 0 293.411 1.495 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161363756 342402333 /nfs/dbraw/zinc/40/23/33/342402333.db2.gz JHCYIQYLHWYXMS-JTQLQIEISA-N 1 0 267.373 1.727 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000159554214 362303682 /nfs/dbraw/zinc/30/36/82/362303682.db2.gz BUQJIZGAIDFMPI-LPWJVIDDSA-N 1 0 256.390 1.382 20 70 CDIDRO CN(C(=O)c1cccc2c1OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000159885226 362377987 /nfs/dbraw/zinc/37/79/87/362377987.db2.gz VWZGJRSGDMECDC-LBPRGKRZSA-N 1 0 276.336 1.267 20 70 CDIDRO CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])CCN1CCOC ZINC000161287751 362407196 /nfs/dbraw/zinc/40/71/96/362407196.db2.gz PRRCTZFFIHRXOQ-AWEZNQCLSA-N 1 0 299.459 1.321 20 70 CDIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H](O)c1ccsc1 ZINC000160444380 362425284 /nfs/dbraw/zinc/42/52/84/362425284.db2.gz JEEZBCODAKAWKS-ZHDCTAKOSA-N 1 0 294.420 1.818 20 70 CDIDRO Brc1cncc(C[NH2+]C[C@H]2CCOC2)c1 ZINC000160565142 362446086 /nfs/dbraw/zinc/44/60/86/362446086.db2.gz LUZSOCPQERMHPJ-SECBINFHSA-N 1 0 271.158 1.970 20 70 CDIDRO CCn1ccnc1CN1CCN(c2ccccn2)CC1 ZINC000160680163 362467574 /nfs/dbraw/zinc/46/75/74/362467574.db2.gz IRTUEGGPNIKUDL-UHFFFAOYSA-N 1 0 271.368 1.620 20 70 CDIDRO CO[C@H](C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159729340 362512570 /nfs/dbraw/zinc/51/25/70/362512570.db2.gz GSHHRTKPJXYHPN-GFCCVEGCSA-N 1 0 256.390 1.840 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)CCO ZINC000160963307 362574998 /nfs/dbraw/zinc/57/49/98/362574998.db2.gz FZFNNONJFOSPIQ-LSDHHAIUSA-N 1 0 299.459 1.815 20 70 CDIDRO C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160640869 346184336 /nfs/dbraw/zinc/18/43/36/346184336.db2.gz IBVMNXRMQAOROE-JSGCOSHPSA-N 1 0 265.401 1.912 20 70 CDIDRO CC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160742879 346480230 /nfs/dbraw/zinc/48/02/30/346480230.db2.gz NOWVRQUNKUCGOA-KGLIPLIRSA-N 1 0 281.400 1.291 20 70 CDIDRO COC(=O)Cc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000159642950 363113288 /nfs/dbraw/zinc/11/32/88/363113288.db2.gz VEQORCVFVFKFJB-UHFFFAOYSA-N 1 0 278.352 1.729 20 70 CDIDRO O=C(CNc1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159391556 188423630 /nfs/dbraw/zinc/42/36/30/188423630.db2.gz SEZUDZUVPMXLHU-OAHLLOKOSA-N 1 0 259.353 1.311 20 70 CDIDRO CCC[C@@H](C(=O)N1CCc2n[nH]cc2C1)[NH+](C)C ZINC000161452783 188528311 /nfs/dbraw/zinc/52/83/11/188528311.db2.gz XFMHLFDFJXIHFV-LBPRGKRZSA-N 1 0 250.346 1.025 20 70 CDIDRO CC(C)(C)CC[NH+]1CCN(CCn2ccnc2)CC1 ZINC000159770170 363290265 /nfs/dbraw/zinc/29/02/65/363290265.db2.gz AHOLNMVODPHAFP-UHFFFAOYSA-N 1 0 264.417 1.937 20 70 CDIDRO CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C[NH3+])C1CC1 ZINC000159876028 363399117 /nfs/dbraw/zinc/39/91/17/363399117.db2.gz GIBRWOOYXRZBJK-OAHLLOKOSA-N 1 0 271.364 1.906 20 70 CDIDRO CCN(C(=O)CC[NH2+]C(C)C)[C@H](C)CS(=O)(=O)CC ZINC000160047805 363612501 /nfs/dbraw/zinc/61/25/01/363612501.db2.gz ZXUHIVFJRATWMZ-GFCCVEGCSA-N 1 0 292.445 1.046 20 70 CDIDRO O=C1C[C@@H]([NH2+]Cc2cccc3cccnc32)CCCN1 ZINC000159361941 358903250 /nfs/dbraw/zinc/90/32/50/358903250.db2.gz ZMEJAWZHJXTZLX-AWEZNQCLSA-N 1 0 269.348 1.993 20 70 CDIDRO COC(=O)c1nccc(NCC2([NH+](C)C)CCCC2)n1 ZINC000161020937 359421923 /nfs/dbraw/zinc/42/19/23/359421923.db2.gz QJUQBBMBRHFSPX-UHFFFAOYSA-N 1 0 278.356 1.550 20 70 CDIDRO Cc1cccc([C@H](C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000160734002 237184822 /nfs/dbraw/zinc/18/48/22/237184822.db2.gz PGGSTILTUCVSLI-ZBFHGGJFSA-N 1 0 290.407 1.983 20 70 CDIDRO C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161190655 482868663 /nfs/dbraw/zinc/86/86/63/482868663.db2.gz WRFCGBPQMQAATO-SDDRHHMPSA-N 1 0 263.341 1.235 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160335993 363822516 /nfs/dbraw/zinc/82/25/16/363822516.db2.gz STXGMZYGWUFZHS-ZDUSSCGKSA-N 1 0 258.369 1.860 20 70 CDIDRO CS[C@@H](C)CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000160426753 363859310 /nfs/dbraw/zinc/85/93/10/363859310.db2.gz QICGFOSKLDTBPH-NSHDSACASA-N 1 0 256.415 1.682 20 70 CDIDRO CC(=O)Nc1ccccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159829798 364272109 /nfs/dbraw/zinc/27/21/09/364272109.db2.gz VTTZZJPPTOXUKS-UHFFFAOYSA-N 1 0 289.379 1.732 20 70 CDIDRO CC(=O)c1cccc(NC(=O)[C@H](C)N(C)C[C@H](C)O)c1 ZINC000159542172 364230250 /nfs/dbraw/zinc/23/02/50/364230250.db2.gz MWVWIHAJGCIIJT-QWRGUYRKSA-N 1 0 278.352 1.529 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000159966497 364287291 /nfs/dbraw/zinc/28/72/91/364287291.db2.gz CTHJCMONJIHPBV-UHFFFAOYSA-N 1 0 275.308 1.102 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000160150243 364312363 /nfs/dbraw/zinc/31/23/63/364312363.db2.gz CKQXQVBEOSZYAR-GFCCVEGCSA-N 1 0 296.798 1.917 20 70 CDIDRO Nn1c(SCCn2ccnc2)nnc1[C@@H]1CCCCO1 ZINC000160159083 364312826 /nfs/dbraw/zinc/31/28/26/364312826.db2.gz KFHZCYHOCSDIBC-JTQLQIEISA-N 1 0 294.384 1.222 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000160428343 364352297 /nfs/dbraw/zinc/35/22/97/364352297.db2.gz DIEXECPDQCWSMZ-GFCCVEGCSA-N 1 0 262.357 1.327 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000160469718 364356822 /nfs/dbraw/zinc/35/68/22/364356822.db2.gz MWVZCEJLVJXAFM-SECBINFHSA-N 1 0 276.365 1.572 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2ccc(OC)cc2)C1 ZINC000160475173 364359063 /nfs/dbraw/zinc/35/90/63/364359063.db2.gz XYMPKTMGPHHKFV-ZDUSSCGKSA-N 1 0 292.379 1.675 20 70 CDIDRO CCO[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000160487329 364361785 /nfs/dbraw/zinc/36/17/85/364361785.db2.gz QGIBAQGZPPZCSS-KGLIPLIRSA-N 1 0 262.353 1.585 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160422212 364350490 /nfs/dbraw/zinc/35/04/90/364350490.db2.gz NIUJFVUZCNMWDF-CYBMUJFWSA-N 1 0 261.325 1.493 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000161042197 364440845 /nfs/dbraw/zinc/44/08/45/364440845.db2.gz CSHJEDKEYZSYPP-LLVKDONJSA-N 1 0 292.379 1.931 20 70 CDIDRO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Oc1ccccc1F ZINC000161160452 364456299 /nfs/dbraw/zinc/45/62/99/364456299.db2.gz CLSUXTLHBYARBU-ABAIWWIYSA-N 1 0 280.343 1.709 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@H]2OCCc3ccccc32)CCOC1 ZINC000160267083 370085118 /nfs/dbraw/zinc/08/51/18/370085118.db2.gz BKOTYSPQSIWCEV-CVEARBPZSA-N 1 0 277.364 1.696 20 70 CDIDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1N ZINC000217806561 412827513 /nfs/dbraw/zinc/82/75/13/412827513.db2.gz UGZRRJLQDAWMOX-CABCVRRESA-N 1 0 273.380 1.934 20 70 CDIDRO CSCC[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000161248248 377201352 /nfs/dbraw/zinc/20/13/52/377201352.db2.gz VOFQYUUUFKKJKS-MXWKQRLJSA-N 1 0 260.403 1.093 20 70 CDIDRO CCN(CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC000218409285 392920161 /nfs/dbraw/zinc/92/01/61/392920161.db2.gz LUDGHGFLQVSVBN-GXTWGEPZSA-N 1 0 288.457 1.416 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000159958458 139908644 /nfs/dbraw/zinc/90/86/44/139908644.db2.gz GFLTXGNVKHSPAS-CYBMUJFWSA-N 1 0 286.372 1.325 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCC2 ZINC000160994122 286483850 /nfs/dbraw/zinc/48/38/50/286483850.db2.gz VQAYRFDHCQUDCS-GRYCIOLGSA-N 1 0 268.401 1.824 20 70 CDIDRO CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160620941 286515554 /nfs/dbraw/zinc/51/55/54/286515554.db2.gz KSFVQFUOIUTSDZ-IHRRRGAJSA-N 1 0 296.411 1.171 20 70 CDIDRO CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])C[C@H](C)O1 ZINC000161193637 165030363 /nfs/dbraw/zinc/03/03/63/165030363.db2.gz FNVRPOZPGGPLSZ-NWDGAFQWSA-N 1 0 256.390 1.777 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc([S@@](C)=O)cc1 ZINC000160629381 261220637 /nfs/dbraw/zinc/22/06/37/261220637.db2.gz BVWGGAYITLOTGF-BTDLBPIBSA-N 1 0 255.383 1.846 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CCC(C)C)nn1 ZINC000161175717 264272891 /nfs/dbraw/zinc/27/28/91/264272891.db2.gz GOTHMXFCOQITRK-LBPRGKRZSA-N 1 0 279.388 1.148 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000160916818 274501453 /nfs/dbraw/zinc/50/14/53/274501453.db2.gz DBDUUJHRRIGMKE-QMMMGPOBSA-N 1 0 283.169 1.681 20 70 CDIDRO CC1CCN(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000160650913 281793179 /nfs/dbraw/zinc/79/31/79/281793179.db2.gz ONKUBDKPHBKHKW-ZDUSSCGKSA-N 1 0 253.390 1.864 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCCc1ccc(OC)cc1Cl ZINC000160606252 292791500 /nfs/dbraw/zinc/79/15/00/292791500.db2.gz ZWMIEZCZPWIHJU-LBPRGKRZSA-N 1 0 270.760 1.745 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OC)cc1 ZINC000161365245 292804585 /nfs/dbraw/zinc/80/45/85/292804585.db2.gz DFKPNWVMXKKMIG-ZDUSSCGKSA-N 1 0 291.351 1.689 20 70 CDIDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160258104 482792589 /nfs/dbraw/zinc/79/25/89/482792589.db2.gz PUUUKYWTGBGKNX-MELADBBJSA-N 1 0 295.427 1.125 20 70 CDIDRO CO[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161337987 482875265 /nfs/dbraw/zinc/87/52/65/482875265.db2.gz PKOWMKRHTDCSAY-BFHYXJOUSA-N 1 0 262.353 1.760 20 70 CDIDRO CC[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160812451 523500564 /nfs/dbraw/zinc/50/05/64/523500564.db2.gz UPQDCJFGPQQWNK-DOMZBBRYSA-N 1 0 283.416 1.464 20 70 CDIDRO COc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160686798 525817302 /nfs/dbraw/zinc/81/73/02/525817302.db2.gz PPCBBCCKYJTOAN-UHFFFAOYSA-N 1 0 292.379 1.129 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000160038397 527244779 /nfs/dbraw/zinc/24/47/79/527244779.db2.gz IEMBVBHQESVCHS-UHFFFAOYSA-N 1 0 278.352 1.244 20 70 CDIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1 ZINC000159453855 527940278 /nfs/dbraw/zinc/94/02/78/527940278.db2.gz DSSINIAEIBNZDN-GFCCVEGCSA-N 1 0 257.378 1.005 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCCCOc1cccc(OC)c1 ZINC000161360741 528963414 /nfs/dbraw/zinc/96/34/14/528963414.db2.gz PIOJRVDOYOLOFM-CQSZACIVSA-N 1 0 280.368 1.708 20 70 CDIDRO C[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159755098 361828112 /nfs/dbraw/zinc/82/81/12/361828112.db2.gz PKKNEXAQGGHHNV-ZDUSSCGKSA-N 1 0 293.411 1.973 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159806844 361867459 /nfs/dbraw/zinc/86/74/59/361867459.db2.gz YBUBMJPMGPISKJ-JSGCOSHPSA-N 1 0 294.370 1.766 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)CO)c1cccc(-n2cnnn2)c1 ZINC000160130021 539115398 /nfs/dbraw/zinc/11/53/98/539115398.db2.gz HWTVPHQDTZQUCU-NSHDSACASA-N 1 0 275.356 1.331 20 70 CDIDRO Cc1cccc([C@H]2CCC[N@@H+]2CC2(CO)COC2)n1 ZINC000160146022 362037891 /nfs/dbraw/zinc/03/78/91/362037891.db2.gz JNTGIISFLJKLCP-CQSZACIVSA-N 1 0 262.353 1.536 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1ncc(C(C)=O)s1 ZINC000161087851 362042774 /nfs/dbraw/zinc/04/27/74/362042774.db2.gz JRIAEANLJKXEKR-ZETCQYMHSA-N 1 0 273.383 1.365 20 70 CDIDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000217495140 342439538 /nfs/dbraw/zinc/43/95/38/342439538.db2.gz UJDYFIDKXPKQHW-JHJVBQTASA-N 1 0 284.400 1.889 20 70 CDIDRO COc1cc(C[NH2+]CC(C)(C)OC)cc(OC)c1O ZINC000160063233 362390775 /nfs/dbraw/zinc/39/07/75/362390775.db2.gz CCCNUYMRWPTYPI-UHFFFAOYSA-N 1 0 269.341 1.924 20 70 CDIDRO CN(Cc1ccccc1F)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160070073 362392499 /nfs/dbraw/zinc/39/24/99/362392499.db2.gz RGRAVWMFWXPPKP-HNNXBMFYSA-N 1 0 293.386 1.453 20 70 CDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159733954 362515087 /nfs/dbraw/zinc/51/50/87/362515087.db2.gz KICVHNYRLPWEQL-ZIAGYGMSSA-N 1 0 281.400 1.480 20 70 CDIDRO CSC1(CNC(=O)C2(C[NH3+])CCCC2)CCOCC1 ZINC000161212165 362703616 /nfs/dbraw/zinc/70/36/16/362703616.db2.gz YBOSWHQRRZBGCH-UHFFFAOYSA-N 1 0 286.441 1.534 20 70 CDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc2nc[nH]c21 ZINC000159636578 363091544 /nfs/dbraw/zinc/09/15/44/363091544.db2.gz DQWHNGKEGYLFFH-CQSZACIVSA-N 1 0 286.379 1.975 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000160009604 482775859 /nfs/dbraw/zinc/77/58/59/482775859.db2.gz HIBGIBMQWRIMBM-ZDUSSCGKSA-N 1 0 266.389 1.103 20 70 CDIDRO NC(=O)CC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160328282 357617337 /nfs/dbraw/zinc/61/73/37/357617337.db2.gz GQVYSOFWROZGHC-LBPRGKRZSA-N 1 0 254.374 1.391 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C(C)=O)cs2)C1 ZINC000160492186 358697488 /nfs/dbraw/zinc/69/74/88/358697488.db2.gz XXPHPLGCYHOFCB-SNVBAGLBSA-N 1 0 252.339 1.385 20 70 CDIDRO COc1ccccc1/C(C)=C/C(=O)N1CC[NH2+]CC1 ZINC000159421038 359109659 /nfs/dbraw/zinc/10/96/59/359109659.db2.gz AVJORUYQYZUFQK-VAWYXSNFSA-N 1 0 260.337 1.530 20 70 CDIDRO Cc1ncoc1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000159575506 359347218 /nfs/dbraw/zinc/34/72/18/359347218.db2.gz XDDBWNWZRAHSQI-NSHDSACASA-N 1 0 257.293 1.513 20 70 CDIDRO Cc1ccc2nc(C[NH+]3CCC(C)(O)CC3)cc(=O)n2c1 ZINC000161220357 237195020 /nfs/dbraw/zinc/19/50/20/237195020.db2.gz SUZQDGQUKPWICH-UHFFFAOYSA-N 1 0 287.363 1.350 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000159468681 361708707 /nfs/dbraw/zinc/70/87/07/361708707.db2.gz JXNXOOJSVMKAOH-RYUDHWBXSA-N 1 0 272.414 1.457 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000159371631 364193064 /nfs/dbraw/zinc/19/30/64/364193064.db2.gz RJZLTKJOKRTRQN-ZWNOBZJWSA-N 1 0 282.771 1.758 20 70 CDIDRO [NH3+]CCCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159400303 364199990 /nfs/dbraw/zinc/19/99/90/364199990.db2.gz GNUVZZWMAMJBAA-LLVKDONJSA-N 1 0 295.770 1.300 20 70 CDIDRO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159469504 364213166 /nfs/dbraw/zinc/21/31/66/364213166.db2.gz IAKBSRJTRDUYBQ-LLVKDONJSA-N 1 0 293.367 1.176 20 70 CDIDRO COC(=O)C1(N(C)Cc2cncn2C)CCCC1 ZINC000159497390 364220675 /nfs/dbraw/zinc/22/06/75/364220675.db2.gz DJZJJSBHLGYIQF-UHFFFAOYSA-N 1 0 251.330 1.338 20 70 CDIDRO Cc1cc(C(=O)N(C)CC(C)(C)CN2CCOCC2)n[nH]1 ZINC000159582021 364236539 /nfs/dbraw/zinc/23/65/39/364236539.db2.gz UHDWZGBQADKEER-UHFFFAOYSA-N 1 0 294.399 1.149 20 70 CDIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159741898 364260739 /nfs/dbraw/zinc/26/07/39/364260739.db2.gz BKKRTVPHAFSZQJ-GFCCVEGCSA-N 1 0 286.379 1.977 20 70 CDIDRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159831188 364271897 /nfs/dbraw/zinc/27/18/97/364271897.db2.gz BOHOHTXZYFDEQX-JQWIXIFHSA-N 1 0 293.392 1.349 20 70 CDIDRO Cc1c(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000160222758 364321051 /nfs/dbraw/zinc/32/10/51/364321051.db2.gz GSUQNPZZAUERRC-LBPRGKRZSA-N 1 0 293.415 1.260 20 70 CDIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315432 364333042 /nfs/dbraw/zinc/33/30/42/364333042.db2.gz VAUJCMSIPPFRIM-CHWSQXEVSA-N 1 0 274.372 1.376 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCOc1ccc(Cl)cc1 ZINC000159957768 364286108 /nfs/dbraw/zinc/28/61/08/364286108.db2.gz KBIOMACBFXMCCG-UHFFFAOYSA-N 1 0 270.760 1.962 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)[NH+](C)C ZINC000160370597 364342607 /nfs/dbraw/zinc/34/26/07/364342607.db2.gz NZHQXVYPFBRLSD-CYBMUJFWSA-N 1 0 277.368 1.667 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NCCCOc1cccc(OC)c1 ZINC000160203586 364317921 /nfs/dbraw/zinc/31/79/21/364317921.db2.gz GBILPFFLQDLHNT-GFCCVEGCSA-N 1 0 280.368 1.436 20 70 CDIDRO O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CC[NH2+]CC1 ZINC000159407068 296069754 /nfs/dbraw/zinc/06/97/54/296069754.db2.gz HGEMLKWYGYDUJE-DOTOQJQBSA-N 1 0 270.376 1.712 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000161311652 369845231 /nfs/dbraw/zinc/84/52/31/369845231.db2.gz DTILDFHXBICGRB-VXGBXAGGSA-N 1 0 276.384 1.044 20 70 CDIDRO CC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000160133114 284335419 /nfs/dbraw/zinc/33/54/19/284335419.db2.gz KGDHSVSLLWQBKM-MJBXVCDLSA-N 1 0 295.427 1.585 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@@H]2OCCc3ccccc32)CCOC1 ZINC000160267339 377042186 /nfs/dbraw/zinc/04/21/86/377042186.db2.gz BKOTYSPQSIWCEV-HOTGVXAUSA-N 1 0 277.364 1.696 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000160524730 377085349 /nfs/dbraw/zinc/08/53/49/377085349.db2.gz ADUUZNKMXGINPI-SNVBAGLBSA-N 1 0 250.317 1.787 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000160583000 377087705 /nfs/dbraw/zinc/08/77/05/377087705.db2.gz CLQSAMOJJPNQOA-CQSZACIVSA-N 1 0 284.400 1.078 20 70 CDIDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161446655 377633709 /nfs/dbraw/zinc/63/37/09/377633709.db2.gz AMCIESTZLZTAOB-HUUCEWRRSA-N 1 0 254.418 1.955 20 70 CDIDRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)cnn1CC(C)C ZINC000160367744 391509340 /nfs/dbraw/zinc/50/93/40/391509340.db2.gz FWOPNALKNMQRSX-UHFFFAOYSA-N 1 0 292.427 1.919 20 70 CDIDRO CN1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000217539334 392960918 /nfs/dbraw/zinc/96/09/18/392960918.db2.gz NXLVXMWRXLMFTP-MRXNPFEDSA-N 1 0 278.396 1.202 20 70 CDIDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000159971829 278663967 /nfs/dbraw/zinc/66/39/67/278663967.db2.gz CABWSYPHGRFDJD-CQSZACIVSA-N 1 0 296.436 1.970 20 70 CDIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000160590392 281291193 /nfs/dbraw/zinc/29/11/93/281291193.db2.gz IOMWYQFQFQGYHX-ZFWWWQNUSA-N 1 0 268.401 1.386 20 70 CDIDRO CCOC[C@@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159365990 482659992 /nfs/dbraw/zinc/65/99/92/482659992.db2.gz FBZUQJIBQQJSSV-HNNXBMFYSA-N 1 0 274.364 1.764 20 70 CDIDRO CC[C@@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000159885453 482755144 /nfs/dbraw/zinc/75/51/44/482755144.db2.gz QBWSMPIBQLLKNK-AEJSXWLSSA-N 1 0 281.322 1.113 20 70 CDIDRO CC(C)[NH2+]CCC(=O)NCc1cc(C(C)C)no1 ZINC000160149088 482786152 /nfs/dbraw/zinc/78/61/52/482786152.db2.gz UUBQQZAXEDUTJA-UHFFFAOYSA-N 1 0 253.346 1.802 20 70 CDIDRO CC(C)OCC[NH2+]C[C@H](O)COCc1ccccc1F ZINC000160202878 482788487 /nfs/dbraw/zinc/78/84/87/482788487.db2.gz UYTKOOGYMDWSLD-AWEZNQCLSA-N 1 0 285.359 1.718 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000160992466 482849845 /nfs/dbraw/zinc/84/98/45/482849845.db2.gz XXRAGWGCCFBMGG-RYUDHWBXSA-N 1 0 272.352 1.263 20 70 CDIDRO COC(=O)Cn1cc(CC[N@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000160112529 533790493 /nfs/dbraw/zinc/79/04/93/533790493.db2.gz KJQXSPCBPIVMPF-TXEJJXNPSA-N 1 0 280.372 1.257 20 70 CDIDRO CC1CCN(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000160527791 520982616 /nfs/dbraw/zinc/98/26/16/520982616.db2.gz KTQDZKMFHTUQKK-CYBMUJFWSA-N 1 0 253.390 1.864 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612983 522096173 /nfs/dbraw/zinc/09/61/73/522096173.db2.gz XTUHSQYGYXOUDX-KKUMJFAQSA-N 1 0 295.427 1.680 20 70 CDIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)CC ZINC000161416566 523041734 /nfs/dbraw/zinc/04/17/34/523041734.db2.gz JLNPZCHXZIVGAE-RYUDHWBXSA-N 1 0 262.419 1.484 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccccc2F)[C@H](C[NH3+])C1 ZINC000161133489 523994509 /nfs/dbraw/zinc/99/45/09/523994509.db2.gz LZMIRBODTUCDKU-QWRGUYRKSA-N 1 0 266.316 1.404 20 70 CDIDRO COc1csc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000161076085 524948685 /nfs/dbraw/zinc/94/86/85/524948685.db2.gz HJSDRYMPYSSHKW-NXEZZACHSA-N 1 0 284.381 1.335 20 70 CDIDRO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000161354049 529062582 /nfs/dbraw/zinc/06/25/82/529062582.db2.gz ACMLHQXZAAFUOV-JTQLQIEISA-N 1 0 253.371 1.804 20 70 CDIDRO COCCOCCCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000160151517 536899718 /nfs/dbraw/zinc/89/97/18/536899718.db2.gz WOKOLWQBRMVPQQ-UONOGXRCSA-N 1 0 286.416 1.453 20 70 CDIDRO [NH3+]CCC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568707 361739158 /nfs/dbraw/zinc/73/91/58/361739158.db2.gz AXBHOADOUMVWKL-UHFFFAOYSA-N 1 0 250.317 1.881 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)cc1 ZINC000161138672 361883160 /nfs/dbraw/zinc/88/31/60/361883160.db2.gz RVKXREJEOICMES-WDEREUQCSA-N 1 0 282.771 1.833 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000159898384 361903276 /nfs/dbraw/zinc/90/32/76/361903276.db2.gz VPEPMTFBEXSXAP-LBPRGKRZSA-N 1 0 279.388 1.218 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000159905134 361919423 /nfs/dbraw/zinc/91/94/23/361919423.db2.gz VBRUPDDWULNHDL-ZDUSSCGKSA-N 1 0 285.432 1.521 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C)c(C)s2)CC1 ZINC000159932897 539115048 /nfs/dbraw/zinc/11/50/48/539115048.db2.gz QXQHTJVIJRMUGL-UHFFFAOYSA-N 1 0 296.440 1.997 20 70 CDIDRO C[N@H+](CCCCS(C)(=O)=O)CCOc1ccccc1 ZINC000161124594 539117283 /nfs/dbraw/zinc/11/72/83/539117283.db2.gz DRLXPQVYJBPIAI-UHFFFAOYSA-N 1 0 285.409 1.822 20 70 CDIDRO CC(C)[N@H+](C)CC(=O)NCCc1cccc(O)c1 ZINC000160221584 362066579 /nfs/dbraw/zinc/06/65/79/362066579.db2.gz LMTUJQUDUBLBMN-UHFFFAOYSA-N 1 0 250.342 1.391 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CCOCC1 ZINC000160826628 342377975 /nfs/dbraw/zinc/37/79/75/342377975.db2.gz RFPBLUBTHHNGGS-BLLLJJGKSA-N 1 0 288.391 1.805 20 70 CDIDRO COC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000159436263 362322675 /nfs/dbraw/zinc/32/26/75/362322675.db2.gz AHHGFRWONIRDPP-HUUCEWRRSA-N 1 0 297.443 1.831 20 70 CDIDRO Cc1n[nH]c(C)c1C[NH2+]CCC(=O)N1CCCCC1 ZINC000159739557 362360194 /nfs/dbraw/zinc/36/01/94/362360194.db2.gz RLPCHWQVOHIJSR-UHFFFAOYSA-N 1 0 264.373 1.519 20 70 CDIDRO CN(CCC(=O)Nc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159975760 362383094 /nfs/dbraw/zinc/38/30/94/362383094.db2.gz YUZOFSPGJXRWDD-AWEZNQCLSA-N 1 0 261.369 1.684 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)Cc1ccccc1 ZINC000161378996 530002323 /nfs/dbraw/zinc/00/23/23/530002323.db2.gz QXMLIEZKQJZDSR-OAHLLOKOSA-N 1 0 275.396 1.329 20 70 CDIDRO CN1CC[N@H+](C)C[C@H]1CNCc1ccc(Cl)cc1F ZINC000160825867 362504274 /nfs/dbraw/zinc/50/42/74/362504274.db2.gz NETZZECBSPVZEK-CYBMUJFWSA-N 1 0 285.794 1.815 20 70 CDIDRO CCCCN(CC)C(=O)CN(CC)Cc1cnn(C)c1 ZINC000161095098 362587066 /nfs/dbraw/zinc/58/70/66/362587066.db2.gz KFSOMDOBAJYOHQ-UHFFFAOYSA-N 1 0 280.416 1.891 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSC[C@@H]1CCCCO1 ZINC000161320178 362768716 /nfs/dbraw/zinc/76/87/16/362768716.db2.gz VLSGDCVKIISTLB-OLZOCXBDSA-N 1 0 286.441 1.499 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)COCCc1ccccc1 ZINC000161349414 362789969 /nfs/dbraw/zinc/78/99/69/362789969.db2.gz RDJIFCNMPWMLJJ-OAHLLOKOSA-N 1 0 276.380 1.456 20 70 CDIDRO COCC[NH2+]CC(=O)NC[C@H](C)Cc1cccs1 ZINC000161096429 362964040 /nfs/dbraw/zinc/96/40/40/362964040.db2.gz JBIDKODJFVWLAG-LLVKDONJSA-N 1 0 270.398 1.279 20 70 CDIDRO CC[N@H+](CCCO)Cc1cc(=O)oc2cc(O)ccc12 ZINC000161431605 362984824 /nfs/dbraw/zinc/98/48/24/362984824.db2.gz BJMGUTCVPHEBAJ-UHFFFAOYSA-N 1 0 277.320 1.703 20 70 CDIDRO COCCOc1ccc(Cl)cc1C(=O)NCCC[NH3+] ZINC000160041274 188452608 /nfs/dbraw/zinc/45/26/08/188452608.db2.gz GHFOIVMPEADTKV-UHFFFAOYSA-N 1 0 286.759 1.444 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2cccs2)C1 ZINC000160723586 188488142 /nfs/dbraw/zinc/48/81/42/188488142.db2.gz YMDGBSPYTPBMIF-SNVBAGLBSA-N 1 0 252.383 1.846 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000160773673 188490922 /nfs/dbraw/zinc/49/09/22/188490922.db2.gz JJYDFJKCLXREIW-SECBINFHSA-N 1 0 261.281 1.369 20 70 CDIDRO CN(CC(=O)Nc1nnc2ccccn21)[C@@H]1CCSC1 ZINC000159871282 363388397 /nfs/dbraw/zinc/38/83/97/363388397.db2.gz PWOHSCDXRTZPCN-SNVBAGLBSA-N 1 0 291.380 1.105 20 70 CDIDRO C[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@@H]1O ZINC000159472762 359259828 /nfs/dbraw/zinc/25/98/28/359259828.db2.gz XFWDVYBIOLQOJZ-JSGCOSHPSA-N 1 0 268.401 1.528 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160123954 237168654 /nfs/dbraw/zinc/16/86/54/237168654.db2.gz GKKQEQBCEWMYDS-SWLSCSKDSA-N 1 0 276.380 1.934 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc(F)cc1 ZINC000160337429 237173631 /nfs/dbraw/zinc/17/36/31/237173631.db2.gz BSDBSYSOTWOQFC-NSHDSACASA-N 1 0 268.357 1.868 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000160242483 283589976 /nfs/dbraw/zinc/58/99/76/283589976.db2.gz YCVIBOAIXVBCHP-SNVBAGLBSA-N 1 0 272.270 1.808 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCCCc1cccc(F)c1 ZINC000159454118 361703044 /nfs/dbraw/zinc/70/30/44/361703044.db2.gz RMALHZXAUIQSRG-CYBMUJFWSA-N 1 0 284.400 1.955 20 70 CDIDRO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)C[C@@H](C)O)C1=O ZINC000159480216 361710501 /nfs/dbraw/zinc/71/05/01/361710501.db2.gz VWMFYOAIVLRRON-DOMZBBRYSA-N 1 0 294.370 1.942 20 70 CDIDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H](C)O ZINC000159516707 361726086 /nfs/dbraw/zinc/72/60/86/361726086.db2.gz DJNOCJBNLMWFRG-PWSUYJOCSA-N 1 0 283.372 1.793 20 70 CDIDRO CC[NH+]1CCC(NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000160339348 363823660 /nfs/dbraw/zinc/82/36/60/363823660.db2.gz LBUVAEUAUDYKJR-GFCCVEGCSA-N 1 0 268.401 1.650 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159397275 364199709 /nfs/dbraw/zinc/19/97/09/364199709.db2.gz YXFUXDKRRBBXSO-QWRGUYRKSA-N 1 0 295.770 1.299 20 70 CDIDRO CCOc1cc(CNC(=O)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000159588098 364238387 /nfs/dbraw/zinc/23/83/87/364238387.db2.gz LJCNLQSKFGTINW-CYBMUJFWSA-N 1 0 292.379 1.710 20 70 CDIDRO Cc1cccc(-n2cc(C(=O)N3CCC[C@H]3C[NH3+])nn2)c1 ZINC000160256971 364326214 /nfs/dbraw/zinc/32/62/14/364326214.db2.gz GDKXSYZZDOHJKL-ZDUSSCGKSA-N 1 0 285.351 1.139 20 70 CDIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160284302 364328979 /nfs/dbraw/zinc/32/89/79/364328979.db2.gz NUPHMJYIXDYKGZ-SUHUHFCYSA-N 1 0 287.363 1.454 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000159954765 364284330 /nfs/dbraw/zinc/28/43/30/364284330.db2.gz XSMILOGFVOGVNB-CQSZACIVSA-N 1 0 292.379 1.712 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160051135 364299490 /nfs/dbraw/zinc/29/94/90/364299490.db2.gz KXHCGYMIARGMPQ-SECBINFHSA-N 1 0 297.196 1.944 20 70 CDIDRO Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000160104301 364307160 /nfs/dbraw/zinc/30/71/60/364307160.db2.gz NJFBOMLXHBLETH-JTQLQIEISA-N 1 0 267.760 1.725 20 70 CDIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160154012 364312986 /nfs/dbraw/zinc/31/29/86/364312986.db2.gz HVHPAMVONOCUPQ-GXTWGEPZSA-N 1 0 290.363 1.606 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC000160562071 364373704 /nfs/dbraw/zinc/37/37/04/364373704.db2.gz QPSLRTFRWUXIST-CYBMUJFWSA-N 1 0 262.353 1.366 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160641211 364388431 /nfs/dbraw/zinc/38/84/31/364388431.db2.gz OHWHFPHVDWKUPN-SECBINFHSA-N 1 0 253.346 1.716 20 70 CDIDRO CC[C@@H](COC)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161214042 364464276 /nfs/dbraw/zinc/46/42/76/364464276.db2.gz NDYSHUYKXUGNHU-JSGCOSHPSA-N 1 0 264.369 1.706 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161410227 364490069 /nfs/dbraw/zinc/49/00/69/364490069.db2.gz WMSQWAYPWVIRDC-LZWOXQAQSA-N 1 0 290.407 1.957 20 70 CDIDRO Cc1occc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160554594 377086616 /nfs/dbraw/zinc/08/66/16/377086616.db2.gz XXFFQLYIYORLJO-UHFFFAOYSA-N 1 0 266.341 1.022 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000161511048 377697780 /nfs/dbraw/zinc/69/77/80/377697780.db2.gz QDOWYDAKRWLUFH-NSHDSACASA-N 1 0 263.341 1.167 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CCOc2ccccc2)C1 ZINC000160770403 532966699 /nfs/dbraw/zinc/96/66/99/532966699.db2.gz OTDYMVXRMPKADN-ZIAGYGMSSA-N 1 0 276.380 1.912 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC000160527122 533037579 /nfs/dbraw/zinc/03/75/79/533037579.db2.gz FDYVCDDIKJNLDY-YPMHNXCESA-N 1 0 262.353 1.619 20 70 CDIDRO CC(C)[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)[NH+](C)C ZINC000159432360 390939879 /nfs/dbraw/zinc/93/98/79/390939879.db2.gz DPNZWRJEYXJJBR-JSGCOSHPSA-N 1 0 254.374 1.212 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000160371619 390978964 /nfs/dbraw/zinc/97/89/64/390978964.db2.gz RQCWRDBEHGIXPF-VIFPVBQESA-N 1 0 282.727 1.632 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(O)c1 ZINC000159871110 533284421 /nfs/dbraw/zinc/28/44/21/533284421.db2.gz IHYCCPINZMUYMY-GFCCVEGCSA-N 1 0 264.325 1.210 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(C)c2)[C@@H](C[NH3+])C1 ZINC000161112846 286055805 /nfs/dbraw/zinc/05/58/05/286055805.db2.gz GYPGSZJEDPIPHC-KGLIPLIRSA-N 1 0 262.353 1.573 20 70 CDIDRO COCCOCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159705124 292575412 /nfs/dbraw/zinc/57/54/12/292575412.db2.gz DZLJNMHYTLOMBD-UHFFFAOYSA-N 1 0 286.416 1.468 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC000161183023 264272660 /nfs/dbraw/zinc/27/26/60/264272660.db2.gz SKWHRPVWWHDGSE-CYBMUJFWSA-N 1 0 270.417 1.809 20 70 CDIDRO CN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H](C[NH3+])C1CC1 ZINC000159899258 281866822 /nfs/dbraw/zinc/86/68/22/281866822.db2.gz ZKGWTBXPSPYQIA-GXTWGEPZSA-N 1 0 276.405 1.899 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161153114 482864318 /nfs/dbraw/zinc/86/43/18/482864318.db2.gz GKEGWLOWSFRBDK-UPJWGTAASA-N 1 0 292.379 1.706 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000159459681 520676057 /nfs/dbraw/zinc/67/60/57/520676057.db2.gz OWKOKLCMWVJTPH-ZIAGYGMSSA-N 1 0 283.416 1.585 20 70 CDIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@@H]1CCOC1 ZINC000161141754 525346412 /nfs/dbraw/zinc/34/64/12/525346412.db2.gz FNERKDQNSQLUKI-UONOGXRCSA-N 1 0 292.427 1.952 20 70 CDIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H]1CCOC1 ZINC000161142122 525443270 /nfs/dbraw/zinc/44/32/70/525443270.db2.gz FNERKDQNSQLUKI-KGLIPLIRSA-N 1 0 292.427 1.952 20 70 CDIDRO CC(C)([NH3+])CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000160072305 527245461 /nfs/dbraw/zinc/24/54/61/527245461.db2.gz XQZJTLKFOLONSY-UHFFFAOYSA-N 1 0 289.379 1.431 20 70 CDIDRO O=C(NC1CC1)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161357186 527492856 /nfs/dbraw/zinc/49/28/56/527492856.db2.gz DXFYEAZWUVALCU-OAHLLOKOSA-N 1 0 279.428 1.605 20 70 CDIDRO CC(C)c1noc(CCC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000159563257 528492438 /nfs/dbraw/zinc/49/24/38/528492438.db2.gz UNSFFBJLSGPIDI-UHFFFAOYSA-N 1 0 294.399 1.903 20 70 CDIDRO CCn1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628715 361758104 /nfs/dbraw/zinc/75/81/04/361758104.db2.gz BZXMILLGQHEMPA-MJBXVCDLSA-N 1 0 261.369 1.950 20 70 CDIDRO CC[C@@H](C)OCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000160249207 362082761 /nfs/dbraw/zinc/08/27/61/362082761.db2.gz DGSKNTZFFFGYNB-CYBMUJFWSA-N 1 0 284.400 1.125 20 70 CDIDRO O=C(c1coc2ccccc12)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216976692 342439381 /nfs/dbraw/zinc/43/93/81/342439381.db2.gz IGIKWPRMBKKYLV-MFKMUULPSA-N 1 0 256.305 1.867 20 70 CDIDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1O ZINC000159404531 362319282 /nfs/dbraw/zinc/31/92/82/362319282.db2.gz DLLPWEDALHWFKG-GWCFXTLKSA-N 1 0 282.771 1.981 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000159427650 362321490 /nfs/dbraw/zinc/32/14/90/362321490.db2.gz SZQPOUKKXBKXEE-OAHLLOKOSA-N 1 0 288.347 1.438 20 70 CDIDRO COc1ccc(CCC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159831248 362373226 /nfs/dbraw/zinc/37/32/26/362373226.db2.gz PPZCZXXHVHMJKB-OAHLLOKOSA-N 1 0 276.380 1.824 20 70 CDIDRO COc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159906630 362379258 /nfs/dbraw/zinc/37/92/58/362379258.db2.gz UCYGOAQQAHZXIC-CYBMUJFWSA-N 1 0 263.341 1.896 20 70 CDIDRO CN(CC(=O)NCc1ccccc1F)[C@@H](C[NH3+])C1CC1 ZINC000160141344 362397830 /nfs/dbraw/zinc/39/78/30/362397830.db2.gz VDBAXFCCMNHAIH-AWEZNQCLSA-N 1 0 279.359 1.111 20 70 CDIDRO COC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000161003069 362475196 /nfs/dbraw/zinc/47/51/96/362475196.db2.gz BCZKNJITQJYECF-OAHLLOKOSA-N 1 0 294.395 1.572 20 70 CDIDRO O=C(c1ccc(Cl)cn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159897035 362560151 /nfs/dbraw/zinc/56/01/51/362560151.db2.gz YNYUJJAABIESNH-PHIMTYICSA-N 1 0 265.744 1.702 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161074632 362565094 /nfs/dbraw/zinc/56/50/94/362565094.db2.gz GGTYIDGJKQCKOC-CYBMUJFWSA-N 1 0 254.374 1.545 20 70 CDIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2C(=O)CNC2=O)n1 ZINC000159724466 363232188 /nfs/dbraw/zinc/23/21/88/363232188.db2.gz DCKPJDDUJNSHSD-ZDUSSCGKSA-N 1 0 288.351 1.079 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Oc1ccc(Cl)cc1 ZINC000161139083 188510281 /nfs/dbraw/zinc/51/02/81/188510281.db2.gz RVKXREJEOICMES-MNOVXSKESA-N 1 0 282.771 1.833 20 70 CDIDRO CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000159867848 363385048 /nfs/dbraw/zinc/38/50/48/363385048.db2.gz QFBLGGUVKLHILC-UHFFFAOYSA-N 1 0 287.404 1.406 20 70 CDIDRO C[C@H](C(=O)NCC[NH3+])c1ccc(Br)s1 ZINC000217242442 356412454 /nfs/dbraw/zinc/41/24/54/356412454.db2.gz SNOBZEXLHWGZGT-LURJTMIESA-N 1 0 277.187 1.689 20 70 CDIDRO OCC1(C[NH2+]C[C@H](O)COc2ccc(F)cc2)CCCC1 ZINC000160143952 363689261 /nfs/dbraw/zinc/68/92/61/363689261.db2.gz OBXKVQCASJJUPU-AWEZNQCLSA-N 1 0 297.370 1.708 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000160231198 360782439 /nfs/dbraw/zinc/78/24/39/360782439.db2.gz IJLHATVBWCREKW-HUUCEWRRSA-N 1 0 291.370 1.350 20 70 CDIDRO CCN(Cc1nncn1C)Cc1ccc2c(c1)OCO2 ZINC000160740272 360866276 /nfs/dbraw/zinc/86/62/76/360866276.db2.gz JEAJJQHLJFYMKW-UHFFFAOYSA-N 1 0 274.324 1.566 20 70 CDIDRO CC(=O)c1csc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161025370 482854221 /nfs/dbraw/zinc/85/42/21/482854221.db2.gz HGDFNZNRWQNBIW-MNOVXSKESA-N 1 0 266.366 1.950 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159470296 361708414 /nfs/dbraw/zinc/70/84/14/361708414.db2.gz KBZLPNUOQKMYCT-GJZGRUSLSA-N 1 0 297.443 1.975 20 70 CDIDRO CCOc1ccc(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000159375335 364193116 /nfs/dbraw/zinc/19/31/16/364193116.db2.gz JFBLAIVYAPTJLX-KRWDZBQOSA-N 1 0 288.391 1.840 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159363042 364191659 /nfs/dbraw/zinc/19/16/59/364191659.db2.gz BKARMKKWVBQQKY-NSHDSACASA-N 1 0 272.352 1.729 20 70 CDIDRO C[C@@H](CCO)NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159591449 364238415 /nfs/dbraw/zinc/23/84/15/364238415.db2.gz CBHUMMHBHVZACZ-KBPBESRZSA-N 1 0 293.411 1.577 20 70 CDIDRO C[C@H](Oc1cccnc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159682967 364251297 /nfs/dbraw/zinc/25/12/97/364251297.db2.gz MGIXTRAHNIZKCQ-LBPRGKRZSA-N 1 0 277.368 1.627 20 70 CDIDRO Cc1ccccc1[C@@H](O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000159844013 364273787 /nfs/dbraw/zinc/27/37/87/364273787.db2.gz QVJMFZNEIHZUTF-QWHCGFSZSA-N 1 0 250.342 1.128 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccccc2)CC1 ZINC000159527253 364228965 /nfs/dbraw/zinc/22/89/65/364228965.db2.gz TVLNDQCQEMWOIM-UHFFFAOYSA-N 1 0 291.395 1.803 20 70 CDIDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1Cc1ccccn1 ZINC000160266641 364327096 /nfs/dbraw/zinc/32/70/96/364327096.db2.gz AQQBLCBWHVCKAS-CQSZACIVSA-N 1 0 298.390 1.721 20 70 CDIDRO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160154177 364313004 /nfs/dbraw/zinc/31/30/04/364313004.db2.gz HVHPAMVONOCUPQ-TZMCWYRMSA-N 1 0 290.363 1.606 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2cccc(OC(C)C)c2)C1 ZINC000160527628 364368009 /nfs/dbraw/zinc/36/80/09/364368009.db2.gz KPQXOELFOUYBLS-CQSZACIVSA-N 1 0 276.380 1.837 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160639500 364387439 /nfs/dbraw/zinc/38/74/39/364387439.db2.gz YKBZVDRCUIHHAO-PMPSAXMXSA-N 1 0 287.407 1.966 20 70 CDIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161028969 364439619 /nfs/dbraw/zinc/43/96/19/364439619.db2.gz YDGVSVMJNVCNDI-AWEZNQCLSA-N 1 0 289.379 1.180 20 70 CDIDRO NC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161036201 364441534 /nfs/dbraw/zinc/44/15/34/364441534.db2.gz KAIFDAYUAFISRU-CYBMUJFWSA-N 1 0 285.351 1.821 20 70 CDIDRO OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000217571265 365064691 /nfs/dbraw/zinc/06/46/91/365064691.db2.gz NJXCWBIQVHFFKZ-JKSUJKDBSA-N 1 0 279.380 1.411 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)C[C@@H](C)SC)CC1 ZINC000161182303 365523125 /nfs/dbraw/zinc/52/31/25/365523125.db2.gz OYKJLRVOTHOHFD-LLVKDONJSA-N 1 0 274.430 1.355 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000161273078 368141094 /nfs/dbraw/zinc/14/10/94/368141094.db2.gz MSHDQKHTBJVUJA-ZDUSSCGKSA-N 1 0 278.400 1.180 20 70 CDIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000161054361 139912224 /nfs/dbraw/zinc/91/22/24/139912224.db2.gz CWRNMNSJDJKKEK-VHSXEESVSA-N 1 0 266.316 1.621 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160144357 377051026 /nfs/dbraw/zinc/05/10/26/377051026.db2.gz WNPANXPXAFYCRI-KBPBESRZSA-N 1 0 289.379 1.282 20 70 CDIDRO O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1CCn2ccnc2C1 ZINC000161302423 377185213 /nfs/dbraw/zinc/18/52/13/377185213.db2.gz NLUIQLAWUUYPQS-ZIAGYGMSSA-N 1 0 291.395 1.503 20 70 CDIDRO Cc1ccc(C)c(OCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160307690 391706789 /nfs/dbraw/zinc/70/67/89/391706789.db2.gz JUUCAPHCUVXHKQ-CYBMUJFWSA-N 1 0 262.353 1.632 20 70 CDIDRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540956 392960554 /nfs/dbraw/zinc/96/05/54/392960554.db2.gz CJCHLIRWKNEOPE-MJBXVCDLSA-N 1 0 267.417 1.162 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])C(=O)c1cccc(F)c1 ZINC000160185570 147711675 /nfs/dbraw/zinc/71/16/75/147711675.db2.gz CDXWKRLYDBOGKT-BXUZGUMPSA-N 1 0 292.354 1.984 20 70 CDIDRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000160320796 276167221 /nfs/dbraw/zinc/16/72/21/276167221.db2.gz MKCURJCXDDCPHL-CHWSQXEVSA-N 1 0 276.384 1.046 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C(C)=O)cn1C ZINC000161217325 277032679 /nfs/dbraw/zinc/03/26/79/277032679.db2.gz UUHPQQMFFLXSBM-GFCCVEGCSA-N 1 0 263.341 1.052 20 70 CDIDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000217436665 279642220 /nfs/dbraw/zinc/64/22/20/279642220.db2.gz XGNWXTJXRKGWKW-SCRDCRAPSA-N 1 0 260.337 1.234 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](CCO)CSC ZINC000160275459 292782605 /nfs/dbraw/zinc/78/26/05/292782605.db2.gz RPVMXPHXOQWUIH-CABCVRRESA-N 1 0 283.437 1.948 20 70 CDIDRO CC(C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1CC1 ZINC000160615694 292791367 /nfs/dbraw/zinc/79/13/67/292791367.db2.gz NYLZITIRWUMIIS-JTQLQIEISA-N 1 0 252.280 1.689 20 70 CDIDRO C[C@H]([C@H](C)N(C)CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000161358551 290200734 /nfs/dbraw/zinc/20/07/34/290200734.db2.gz VXNVRDRDTQEUJC-UONOGXRCSA-N 1 0 290.473 1.616 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)CC2([NH3+])CCC2)ccc1F ZINC000160360057 482797151 /nfs/dbraw/zinc/79/71/51/482797151.db2.gz LFSPEKRTVCYTMH-UHFFFAOYSA-N 1 0 293.342 1.738 20 70 CDIDRO CNC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161444455 482878091 /nfs/dbraw/zinc/87/80/91/482878091.db2.gz COQNXVXCXZVEPA-CHWSQXEVSA-N 1 0 275.352 1.046 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)NCc1ccccc1OC(F)(F)F ZINC000159442921 522311373 /nfs/dbraw/zinc/31/13/73/522311373.db2.gz GMYHTZCFKGPJDI-SECBINFHSA-N 1 0 292.257 1.175 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000160453100 520877011 /nfs/dbraw/zinc/87/70/11/520877011.db2.gz XIIILFIFEFDKGP-JQWIXIFHSA-N 1 0 258.362 1.031 20 70 CDIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161073067 523494862 /nfs/dbraw/zinc/49/48/62/523494862.db2.gz SMLFKQILTCNJQI-CABCVRRESA-N 1 0 270.417 1.192 20 70 CDIDRO Cc1c(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cnn1C ZINC000161456125 525515317 /nfs/dbraw/zinc/51/53/17/525515317.db2.gz KGCDYOUCODQPOJ-LQYUOIDQSA-N 1 0 288.395 1.438 20 70 CDIDRO O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000161218130 526892316 /nfs/dbraw/zinc/89/23/16/526892316.db2.gz LNZWLWLPEAQTJE-JHJVBQTASA-N 1 0 262.357 1.093 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000160509357 528945985 /nfs/dbraw/zinc/94/59/85/528945985.db2.gz KXTWWNMEQQAIIR-LBPRGKRZSA-N 1 0 283.416 1.267 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1ccnc(-n2cccn2)c1 ZINC000160541269 528946693 /nfs/dbraw/zinc/94/66/93/528946693.db2.gz PFNYKGJXQPQUHL-UHFFFAOYSA-N 1 0 287.367 1.515 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCOCC(F)(F)F)CC1 ZINC000159589683 529025093 /nfs/dbraw/zinc/02/50/93/529025093.db2.gz YXNWFAARYFGFLN-UHFFFAOYSA-N 1 0 297.321 1.303 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1OC ZINC000159779511 536699226 /nfs/dbraw/zinc/69/92/26/536699226.db2.gz FPYUSXLZSVJBLU-LBPRGKRZSA-N 1 0 278.352 1.513 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000161056656 361750325 /nfs/dbraw/zinc/75/03/25/361750325.db2.gz VFGPOWJDADQTAY-YGOYTEALSA-N 1 0 270.760 1.879 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2C)CCOC1 ZINC000160349884 342072993 /nfs/dbraw/zinc/07/29/93/342072993.db2.gz VQMRATQROFDHQL-GDBMZVCRSA-N 1 0 295.379 1.130 20 70 CDIDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cn1 ZINC000159744163 539114705 /nfs/dbraw/zinc/11/47/05/539114705.db2.gz PYLZDXGPOFVYDG-CQSZACIVSA-N 1 0 263.385 1.885 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(C)nc2)CC1 ZINC000159847647 539114780 /nfs/dbraw/zinc/11/47/80/539114780.db2.gz CFYBSTLVAORVCD-UHFFFAOYSA-N 1 0 290.411 1.670 20 70 CDIDRO CCCCNC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161309314 539117546 /nfs/dbraw/zinc/11/75/46/539117546.db2.gz DYIQWUFJIDDIAS-UHFFFAOYSA-N 1 0 276.384 1.120 20 70 CDIDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160213952 362057321 /nfs/dbraw/zinc/05/73/21/362057321.db2.gz NJWJWDYFHZJSTK-HNNXBMFYSA-N 1 0 282.428 1.897 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSCc2cccnc2)C1 ZINC000160989960 347010245 /nfs/dbraw/zinc/01/02/45/347010245.db2.gz QQLZJUDSRPQNTH-CHWSQXEVSA-N 1 0 279.409 1.701 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]c2ncccc12 ZINC000161264843 362363346 /nfs/dbraw/zinc/36/33/46/362363346.db2.gz HKERCQHPIGAPOF-LBPRGKRZSA-N 1 0 272.352 1.316 20 70 CDIDRO CC1(O)CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000161199686 362583574 /nfs/dbraw/zinc/58/35/74/362583574.db2.gz CMUIASGILMQMSJ-UHFFFAOYSA-N 1 0 294.370 1.331 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1cccnc1 ZINC000161321956 362775966 /nfs/dbraw/zinc/77/59/66/362775966.db2.gz FNGQNUBPHLYZFX-VXGBXAGGSA-N 1 0 263.341 1.059 20 70 CDIDRO CC(C)(C[NH3+])NC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216950019 347691394 /nfs/dbraw/zinc/69/13/94/347691394.db2.gz CBGRYYMQUFDPCJ-UHFFFAOYSA-N 1 0 265.401 1.848 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159665626 363171107 /nfs/dbraw/zinc/17/11/07/363171107.db2.gz KAITYWHOWRLNCZ-NWDGAFQWSA-N 1 0 273.446 1.769 20 70 CDIDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000160023109 188451413 /nfs/dbraw/zinc/45/14/13/188451413.db2.gz IGVQEVPKXSPMIW-LBPRGKRZSA-N 1 0 275.352 1.131 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCc2ccccn2)CC1 ZINC000161020012 188503311 /nfs/dbraw/zinc/50/33/11/188503311.db2.gz RFOCAEJJAIEEBD-UHFFFAOYSA-N 1 0 261.369 1.661 20 70 CDIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCC[NH3+])c1 ZINC000160119255 237164024 /nfs/dbraw/zinc/16/40/24/237164024.db2.gz LXFMNDFCASRFKO-GXFFZTMASA-N 1 0 275.352 1.360 20 70 CDIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(F)cccc2C1 ZINC000161059189 360499184 /nfs/dbraw/zinc/49/91/84/360499184.db2.gz HGIXFNMRRYLHKE-AWEZNQCLSA-N 1 0 262.328 1.805 20 70 CDIDRO Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000161081116 360815500 /nfs/dbraw/zinc/81/55/00/360815500.db2.gz PLMXQVCSVTUCJO-QWRGUYRKSA-N 1 0 267.329 1.157 20 70 CDIDRO CN(CC(=O)NCc1ccccc1F)[C@H](C[NH3+])C1CC1 ZINC000160141470 360842491 /nfs/dbraw/zinc/84/24/91/360842491.db2.gz VDBAXFCCMNHAIH-CQSZACIVSA-N 1 0 279.359 1.111 20 70 CDIDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000160245452 363792526 /nfs/dbraw/zinc/79/25/26/363792526.db2.gz ABXNTOCPTSYINH-DZGCQCFKSA-N 1 0 259.353 1.903 20 70 CDIDRO Cc1ccc(C2(C(=O)N3CC[NH2+]CC3)CCOCC2)cc1 ZINC000159377352 364194922 /nfs/dbraw/zinc/19/49/22/364194922.db2.gz GBWUMONNPODFRU-UHFFFAOYSA-N 1 0 288.391 1.475 20 70 CDIDRO CC[N@H+](C)[C@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000159420617 364203456 /nfs/dbraw/zinc/20/34/56/364203456.db2.gz SMSMNGIOKIODLX-AWEZNQCLSA-N 1 0 261.369 1.111 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccnc2)CC1 ZINC000159547986 364231665 /nfs/dbraw/zinc/23/16/65/364231665.db2.gz AUSQFNANKASJQV-CYBMUJFWSA-N 1 0 276.384 1.880 20 70 CDIDRO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159630211 364242595 /nfs/dbraw/zinc/24/25/95/364242595.db2.gz UUDCKYWVDRLUMC-FZMZJTMJSA-N 1 0 280.343 1.857 20 70 CDIDRO c1cn(CCN2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000159707816 364254907 /nfs/dbraw/zinc/25/49/07/364254907.db2.gz UFQRABKPIYZUAV-UHFFFAOYSA-N 1 0 284.407 1.743 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccc(F)c(F)c2)C1 ZINC000160285488 364329232 /nfs/dbraw/zinc/32/92/32/364329232.db2.gz PHUDEKPGSPHTQM-MRVPVSSYSA-N 1 0 272.320 1.617 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CCC[C@H]3C[NH3+])cc12 ZINC000160143013 364310215 /nfs/dbraw/zinc/31/02/15/364310215.db2.gz XTWSBGKSJQMJRC-JTQLQIEISA-N 1 0 274.324 1.349 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOCc2ccccc2)C1 ZINC000160467579 364357051 /nfs/dbraw/zinc/35/70/51/364357051.db2.gz UWYNRZCSPIIENW-OAHLLOKOSA-N 1 0 276.380 1.804 20 70 CDIDRO CC(C)[C@@H](CCO)NC(=O)CN(C)Cc1ccccc1 ZINC000160652220 364399358 /nfs/dbraw/zinc/39/93/58/364399358.db2.gz JDGAWKUFFAHNJZ-OAHLLOKOSA-N 1 0 278.396 1.642 20 70 CDIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccc(F)cc1F ZINC000161045054 364440766 /nfs/dbraw/zinc/44/07/66/364440766.db2.gz DIBHXZYVZCPZAH-HQJQHLMTSA-N 1 0 285.294 1.589 20 70 CDIDRO CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000217811154 367258349 /nfs/dbraw/zinc/25/83/49/367258349.db2.gz ODGPSMMOSZIIGO-LNSITVRQSA-N 1 0 292.379 1.374 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000160237554 377041702 /nfs/dbraw/zinc/04/17/02/377041702.db2.gz NTXUCYRREGCXCN-SCVCMEIPSA-N 1 0 266.291 1.628 20 70 CDIDRO NC(=O)C1([NH2+]Cc2cnc3ccccn23)CCCCC1 ZINC000160975501 377138233 /nfs/dbraw/zinc/13/82/33/377138233.db2.gz IPDCYWIDCDGFHS-UHFFFAOYSA-N 1 0 272.352 1.612 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160352431 391508310 /nfs/dbraw/zinc/50/83/10/391508310.db2.gz MPCVBHFTZCQLHQ-KGLIPLIRSA-N 1 0 268.401 1.779 20 70 CDIDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000217436253 392958584 /nfs/dbraw/zinc/95/85/84/392958584.db2.gz LPYKGLUHQIOPJQ-WDMOLILDSA-N 1 0 276.336 1.070 20 70 CDIDRO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](O)C1 ZINC000218680539 140164698 /nfs/dbraw/zinc/16/46/98/140164698.db2.gz RAUDMEZOISVRES-WCQYABFASA-N 1 0 280.343 1.287 20 70 CDIDRO CCN(C(=O)C[C@@H]1CCC[NH2+]1)c1nc(C)cs1 ZINC000160177937 147710827 /nfs/dbraw/zinc/71/08/27/147710827.db2.gz XKWSPLFHVORXBT-JTQLQIEISA-N 1 0 253.371 1.947 20 70 CDIDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CCO1 ZINC000218654698 414518593 /nfs/dbraw/zinc/51/85/93/414518593.db2.gz YXFCBBMJNDQULV-IPYPFGDCSA-N 1 0 269.385 1.872 20 70 CDIDRO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCCC3)CCO1 ZINC000217319575 424609862 /nfs/dbraw/zinc/60/98/62/424609862.db2.gz NKAFWEDRVDIRJL-NSHDSACASA-N 1 0 264.373 1.662 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1occc1Br ZINC000161287879 277278477 /nfs/dbraw/zinc/27/84/77/277278477.db2.gz CEIAHVBOSOKBGD-QMMMGPOBSA-N 1 0 287.157 1.866 20 70 CDIDRO Cc1ccc2nc(CN(C)[C@@H](C[NH3+])C3CC3)cn2c1 ZINC000160005972 281153563 /nfs/dbraw/zinc/15/35/63/281153563.db2.gz DPKGUGURCSFUTB-AWEZNQCLSA-N 1 0 258.369 1.812 20 70 CDIDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC(C)(C)O ZINC000160655406 292792184 /nfs/dbraw/zinc/79/21/84/292792184.db2.gz DVTUOUXECKEHLL-ZDUSSCGKSA-N 1 0 278.396 1.484 20 70 CDIDRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000218597332 329484839 /nfs/dbraw/zinc/48/48/39/329484839.db2.gz BEIISXPBTDRLDU-ZBFHGGJFSA-N 1 0 292.423 1.807 20 70 CDIDRO [NH3+]C1(CC(=O)NCCCOCC2CCOCC2)CCC1 ZINC000160583244 482358187 /nfs/dbraw/zinc/35/81/87/482358187.db2.gz MNRDLIQBUHCHSJ-UHFFFAOYSA-N 1 0 284.400 1.207 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000161031600 482854303 /nfs/dbraw/zinc/85/43/03/482854303.db2.gz DUAIQOCHLLUCCK-GHMZBOCLSA-N 1 0 264.373 1.543 20 70 CDIDRO CC1(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000161370720 520757765 /nfs/dbraw/zinc/75/77/65/520757765.db2.gz NSNNLVCIIFVNBO-CYBMUJFWSA-N 1 0 295.427 1.729 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000160717082 522391746 /nfs/dbraw/zinc/39/17/46/522391746.db2.gz POQIGHZGLJXSOR-CYBMUJFWSA-N 1 0 291.370 1.860 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000160529179 522503124 /nfs/dbraw/zinc/50/31/24/522503124.db2.gz SJPDUMIVCCXASW-VIFPVBQESA-N 1 0 251.355 1.454 20 70 CDIDRO CO[C@@H]1CCN(Cc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000160977394 523688464 /nfs/dbraw/zinc/68/84/64/523688464.db2.gz KWXWFAHLGOUDLC-NWDGAFQWSA-N 1 0 270.323 1.903 20 70 CDIDRO C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000160542347 524539254 /nfs/dbraw/zinc/53/92/54/524539254.db2.gz OVJDJASRKCNYCD-IPYPFGDCSA-N 1 0 296.411 1.029 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1cccnc1N(C)C ZINC000160456451 528947306 /nfs/dbraw/zinc/94/73/06/528947306.db2.gz OSAVIOMQEKFYHK-UHFFFAOYSA-N 1 0 264.373 1.395 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCOCC1)CC2 ZINC000160573644 282125314 /nfs/dbraw/zinc/12/53/14/282125314.db2.gz CMTJBOPRZDGDIZ-GXFFZTMASA-N 1 0 264.373 1.306 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cncc(F)c1)CC2 ZINC000160506749 282127624 /nfs/dbraw/zinc/12/76/24/282127624.db2.gz UFUHEMPSMRSQKJ-NOZJJQNGSA-N 1 0 275.331 1.786 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000159377265 539041453 /nfs/dbraw/zinc/04/14/53/539041453.db2.gz MAIDFOUWRJXHND-OAHLLOKOSA-N 1 0 266.360 1.981 20 70 CDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc2[nH]cnc21 ZINC000159461670 539114140 /nfs/dbraw/zinc/11/41/40/539114140.db2.gz UMBXNDWFXFYJNN-GFCCVEGCSA-N 1 0 284.363 1.777 20 70 CDIDRO Cc1cc(C[NH2+]CCC(=O)N2CCOCC2)ccc1F ZINC000159366305 362314845 /nfs/dbraw/zinc/31/48/45/362314845.db2.gz ZAWOPFIWXYSRRW-UHFFFAOYSA-N 1 0 280.343 1.473 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000159448003 362323741 /nfs/dbraw/zinc/32/37/41/362323741.db2.gz OJHOMEGTHZVGBQ-ABAIWWIYSA-N 1 0 272.348 1.991 20 70 CDIDRO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159938024 362380568 /nfs/dbraw/zinc/38/05/68/362380568.db2.gz QBVUMUZPMJYPIF-LBPRGKRZSA-N 1 0 286.372 1.492 20 70 CDIDRO CC[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000159879352 362549269 /nfs/dbraw/zinc/54/92/69/362549269.db2.gz UGKNQTUDSGBKSW-CQSZACIVSA-N 1 0 269.389 1.027 20 70 CDIDRO C[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000159643154 363112756 /nfs/dbraw/zinc/11/27/56/363112756.db2.gz XCHCFJVYGHDMFR-DOMZBBRYSA-N 1 0 276.380 1.789 20 70 CDIDRO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1CC[NH2+]C1 ZINC000161206540 188514507 /nfs/dbraw/zinc/51/45/07/188514507.db2.gz HOZSDIQTSOVSHI-ZETCQYMHSA-N 1 0 293.314 1.430 20 70 CDIDRO CN(C(=O)c1ccc2[nH]cnc2c1)[C@H](C[NH3+])C1CC1 ZINC000159779933 363297156 /nfs/dbraw/zinc/29/71/56/363297156.db2.gz KUKZDCLJPQYOBE-CYBMUJFWSA-N 1 0 258.325 1.372 20 70 CDIDRO C[C@@H]1CC(NC(=O)NCCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000159782054 363297835 /nfs/dbraw/zinc/29/78/35/363297835.db2.gz JIJOJKSJZSNIEU-CHWSQXEVSA-N 1 0 297.443 1.974 20 70 CDIDRO O=C(CC[N@H+]1CCCC[C@@H]1CO)NC1CCCC1 ZINC000159859820 363381708 /nfs/dbraw/zinc/38/17/08/363381708.db2.gz ICAYNEDLHQZHKX-CYBMUJFWSA-N 1 0 254.374 1.282 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CO)C(C)C ZINC000160981663 358781923 /nfs/dbraw/zinc/78/19/23/358781923.db2.gz LEURHQGRDDCQKR-HUUCEWRRSA-N 1 0 299.459 1.813 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc(F)cc1 ZINC000160337302 237173846 /nfs/dbraw/zinc/17/38/46/237173846.db2.gz BSDBSYSOTWOQFC-LLVKDONJSA-N 1 0 268.357 1.868 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000160258588 363799639 /nfs/dbraw/zinc/79/96/39/363799639.db2.gz SLMJIAMXMZHVOA-ZDUSSCGKSA-N 1 0 267.369 1.749 20 70 CDIDRO NC(=O)c1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159499705 361721890 /nfs/dbraw/zinc/72/18/90/361721890.db2.gz DOAXGYUHLXILDT-QHLGLPELSA-N 1 0 299.374 1.152 20 70 CDIDRO Cn1cccc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159459951 364210609 /nfs/dbraw/zinc/21/06/09/364210609.db2.gz MUCJTGQFYAEOOT-ZDUSSCGKSA-N 1 0 299.440 1.319 20 70 CDIDRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(CO)CO ZINC000159564184 364235457 /nfs/dbraw/zinc/23/54/57/364235457.db2.gz HIQBLKBKHKHDNM-KBPBESRZSA-N 1 0 273.417 1.504 20 70 CDIDRO CCC(CC)(C[NH2+]Cc1nccn1C)C(=O)OC ZINC000159667514 364249750 /nfs/dbraw/zinc/24/97/50/364249750.db2.gz WXCHOQHKHVIEQG-UHFFFAOYSA-N 1 0 253.346 1.489 20 70 CDIDRO C[C@]1(C(=O)Nc2cnn(CC(F)(F)F)c2)CC[NH2+]C1 ZINC000159694836 364252739 /nfs/dbraw/zinc/25/27/39/364252739.db2.gz UHTJEWNLJYCQKQ-JTQLQIEISA-N 1 0 276.262 1.384 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1C ZINC000159844663 364272852 /nfs/dbraw/zinc/27/28/52/364272852.db2.gz KYWDUUHNUWTFDP-QWHCGFSZSA-N 1 0 282.409 1.225 20 70 CDIDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(N)=O ZINC000159543104 364230456 /nfs/dbraw/zinc/23/04/56/364230456.db2.gz FSWJZNOKTXURGM-CQSZACIVSA-N 1 0 286.379 1.862 20 70 CDIDRO COc1c(F)ccc(F)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160294638 364330579 /nfs/dbraw/zinc/33/05/79/364330579.db2.gz UDGLTFMVIRLOPL-SSDOTTSWSA-N 1 0 256.252 1.147 20 70 CDIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@H]1CCOC1 ZINC000159922527 364280453 /nfs/dbraw/zinc/28/04/53/364280453.db2.gz MOPAJLZOCIXLGS-GVXVVHGQSA-N 1 0 255.383 1.970 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000159929574 364282403 /nfs/dbraw/zinc/28/24/03/364282403.db2.gz PNOHHDBPOOZREL-UHFFFAOYSA-N 1 0 276.315 1.683 20 70 CDIDRO Cc1ccc(C(=O)CCN2C[C@@H](C)O[C@H](C(N)=O)C2)cc1 ZINC000160175083 364313683 /nfs/dbraw/zinc/31/36/83/364313683.db2.gz SFWDDKRWKXKUCE-DOMZBBRYSA-N 1 0 290.363 1.142 20 70 CDIDRO C[NH2+]CC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160448848 364354527 /nfs/dbraw/zinc/35/45/27/364354527.db2.gz GQQKRRBHDMTQEG-LBPRGKRZSA-N 1 0 250.298 1.012 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC000160548752 364371946 /nfs/dbraw/zinc/37/19/46/364371946.db2.gz AWUCZYFPRMAXDA-CQSZACIVSA-N 1 0 262.353 1.414 20 70 CDIDRO CC1CC[NH+](CCNC(=O)NOCc2cccnc2)CC1 ZINC000161074618 364443290 /nfs/dbraw/zinc/44/32/90/364443290.db2.gz PQZUFWUKJAJCOB-UHFFFAOYSA-N 1 0 292.383 1.544 20 70 CDIDRO CCc1ncc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000161176373 364458994 /nfs/dbraw/zinc/45/89/94/364458994.db2.gz SQBJBRSESTZHDS-GFCCVEGCSA-N 1 0 291.399 1.892 20 70 CDIDRO CC[C@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160899398 364423542 /nfs/dbraw/zinc/42/35/42/364423542.db2.gz AGFGIROBNLZIIB-ZDUSSCGKSA-N 1 0 293.342 1.808 20 70 CDIDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181872 364460666 /nfs/dbraw/zinc/46/06/66/364460666.db2.gz DXWXLQZQXXNTMS-YCPHGPKFSA-N 1 0 289.423 1.764 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000161246571 367807268 /nfs/dbraw/zinc/80/72/68/367807268.db2.gz ZBXWEMQQPCGIFC-LBPRGKRZSA-N 1 0 268.307 1.718 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH3+])[C@H](C)CO1 ZINC000161467606 373756951 /nfs/dbraw/zinc/75/69/51/373756951.db2.gz VBWJZMQXVUUYKV-OCCSQVGLSA-N 1 0 262.353 1.632 20 70 CDIDRO CCNC(=O)C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000161501629 373783751 /nfs/dbraw/zinc/78/37/51/373783751.db2.gz CJJGESTYXUEVPX-IJLUTSLNSA-N 1 0 270.373 1.080 20 70 CDIDRO CC[C@H](O)CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160713030 377094826 /nfs/dbraw/zinc/09/48/26/377094826.db2.gz LDSQCSSQLXWJAM-ZDUSSCGKSA-N 1 0 271.405 1.319 20 70 CDIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC[NH3+] ZINC000161095931 390959576 /nfs/dbraw/zinc/95/95/76/390959576.db2.gz ZQAGPPJRVNDDGT-LKFCYVNXSA-N 1 0 250.317 1.914 20 70 CDIDRO COC(=O)[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160854220 533389603 /nfs/dbraw/zinc/38/96/03/533389603.db2.gz IZZOGJSTHIFRHQ-AWEZNQCLSA-N 1 0 268.401 1.747 20 70 CDIDRO CCCCOC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160337046 391356079 /nfs/dbraw/zinc/35/60/79/391356079.db2.gz WQEIRWJBNKLAEN-KGLIPLIRSA-N 1 0 268.401 1.888 20 70 CDIDRO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000218045960 140165214 /nfs/dbraw/zinc/16/52/14/140165214.db2.gz JYPZPRHVLRNCSQ-VXGBXAGGSA-N 1 0 284.400 1.565 20 70 CDIDRO C[NH+](C)C1(CNC(=O)Cc2cccc(N)c2)CCCC1 ZINC000160657981 147721648 /nfs/dbraw/zinc/72/16/48/147721648.db2.gz OQRTXVHXJJIOGK-UHFFFAOYSA-N 1 0 275.396 1.802 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000161057810 286017997 /nfs/dbraw/zinc/01/79/97/286017997.db2.gz VFGPOWJDADQTAY-LNLATYFQSA-N 1 0 270.760 1.879 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160620803 286326109 /nfs/dbraw/zinc/32/61/09/286326109.db2.gz KSFVQFUOIUTSDZ-MELADBBJSA-N 1 0 296.411 1.171 20 70 CDIDRO COCCC1(CNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000161179384 261239426 /nfs/dbraw/zinc/23/94/26/261239426.db2.gz FXVDLXIRHIOWHY-UHFFFAOYSA-N 1 0 283.416 1.540 20 70 CDIDRO CC(=O)N[C@@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C)cc1 ZINC000160084711 278133121 /nfs/dbraw/zinc/13/31/21/278133121.db2.gz YGURKZQFGDNXEK-AWEZNQCLSA-N 1 0 291.395 1.416 20 70 CDIDRO CCC[C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000161445383 278881777 /nfs/dbraw/zinc/88/17/77/278881777.db2.gz NYZXUBSLQRHWSE-ZIAGYGMSSA-N 1 0 268.401 1.794 20 70 CDIDRO CCC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)C(C)C ZINC000160007337 292775874 /nfs/dbraw/zinc/77/58/74/292775874.db2.gz ZXYNQWMWTBNJDR-HNNXBMFYSA-N 1 0 284.444 1.879 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000160278604 292782544 /nfs/dbraw/zinc/78/25/44/292782544.db2.gz CUEVEGBSMDBIAK-YVZNUBBCSA-N 1 0 272.348 1.584 20 70 CDIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000160990958 482359647 /nfs/dbraw/zinc/35/96/47/482359647.db2.gz XHEIFLBZWAIYBJ-CHWSQXEVSA-N 1 0 299.378 1.575 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC000160501559 482807900 /nfs/dbraw/zinc/80/79/00/482807900.db2.gz FXUZQVSIMDBRMP-VIFPVBQESA-N 1 0 254.280 1.707 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000160884933 482836164 /nfs/dbraw/zinc/83/61/64/482836164.db2.gz CGVSTFRKHRBJJC-ZJUUUORDSA-N 1 0 268.307 1.893 20 70 CDIDRO CCCN(CC[NH+](CC)CC)C(=O)N1CCOCC1 ZINC000160539727 521658457 /nfs/dbraw/zinc/65/84/57/521658457.db2.gz VXAOPSYNIBCTKN-UHFFFAOYSA-N 1 0 271.405 1.492 20 70 CDIDRO CC(C)(C[NH3+])C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000161429201 519230610 /nfs/dbraw/zinc/23/06/10/519230610.db2.gz YZGMNQGGUKOZIP-QWRGUYRKSA-N 1 0 256.415 1.858 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160351225 519645180 /nfs/dbraw/zinc/64/51/80/519645180.db2.gz WEXQRJGMJHSIDP-CABCVRRESA-N 1 0 297.443 1.926 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000160675100 522979505 /nfs/dbraw/zinc/97/95/05/522979505.db2.gz HEILVFAUCUAMGU-CYBMUJFWSA-N 1 0 273.421 1.565 20 70 CDIDRO CO[C@@H]1CCN(Cc2ccn(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161202629 523687057 /nfs/dbraw/zinc/68/70/57/523687057.db2.gz KNSHPYWMIFKDBX-ZIAGYGMSSA-N 1 0 266.389 1.402 20 70 CDIDRO CO[C@@H]1CCN(Cc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000161020806 523687801 /nfs/dbraw/zinc/68/78/01/523687801.db2.gz CUTMAGKJOOJEFY-NWDGAFQWSA-N 1 0 270.323 1.903 20 70 CDIDRO COC(=O)[C@@H]1C[C@H](OC)CN1CCC[NH+]1CCCCC1 ZINC000161356082 523793477 /nfs/dbraw/zinc/79/34/77/523793477.db2.gz PXDMLWVJOIZLIU-KBPBESRZSA-N 1 0 284.400 1.125 20 70 CDIDRO CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCC[N@H+](C)C1 ZINC000160606140 523959064 /nfs/dbraw/zinc/95/90/64/523959064.db2.gz VEUHDUXFTZGGTM-GFCCVEGCSA-N 1 0 287.367 1.135 20 70 CDIDRO O=C(NC1CC1)[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161357313 527490231 /nfs/dbraw/zinc/49/02/31/527490231.db2.gz DXFYEAZWUVALCU-HNNXBMFYSA-N 1 0 279.428 1.605 20 70 CDIDRO CCO[C@H]1C[C@@H](N(C)C(=O)C(C)(C)C[NH3+])C1(C)C ZINC000160501807 528067181 /nfs/dbraw/zinc/06/71/81/528067181.db2.gz WDOJZEGMQDBZJZ-MNOVXSKESA-N 1 0 256.390 1.633 20 70 CDIDRO C[C@@H](C(=O)N1CCC(O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000159884826 361891369 /nfs/dbraw/zinc/89/13/69/361891369.db2.gz MCMRKCZSSYSAEA-TUAOUCFPSA-N 1 0 254.374 1.231 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Sc1ccccc1 ZINC000161120611 361875518 /nfs/dbraw/zinc/87/55/18/361875518.db2.gz SQTVSTOLGICAHY-VXGBXAGGSA-N 1 0 264.394 1.893 20 70 CDIDRO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)[NH+](C)C ZINC000160818970 539116898 /nfs/dbraw/zinc/11/68/98/539116898.db2.gz OFTAFWXGMSSMEK-UONOGXRCSA-N 1 0 295.427 1.234 20 70 CDIDRO CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159527031 362115292 /nfs/dbraw/zinc/11/52/92/362115292.db2.gz PRWSCAGPZQQMLK-IUCAKERBSA-N 1 0 299.321 1.850 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000161377940 290694487 /nfs/dbraw/zinc/69/44/87/290694487.db2.gz IOIAZMDQRKFROL-RDBSUJKOSA-N 1 0 284.400 1.171 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000161251955 362259587 /nfs/dbraw/zinc/25/95/87/362259587.db2.gz PHFJUWRCNKLDIB-RYUDHWBXSA-N 1 0 272.389 1.062 20 70 CDIDRO CN(C(=O)Cc1cccc(F)c1F)[C@H](C[NH3+])C1CC1 ZINC000159853805 362375632 /nfs/dbraw/zinc/37/56/32/362375632.db2.gz CBJFAKZGKANFDQ-GFCCVEGCSA-N 1 0 268.307 1.703 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(F)cccc1F ZINC000159972597 362383359 /nfs/dbraw/zinc/38/33/59/362383359.db2.gz KSDFLVZOCWCSCW-NSHDSACASA-N 1 0 290.335 1.323 20 70 CDIDRO CCc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159924837 362379690 /nfs/dbraw/zinc/37/96/90/362379690.db2.gz XXDBXUJLNYIIJR-AWEZNQCLSA-N 1 0 282.409 1.607 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000217488170 535052562 /nfs/dbraw/zinc/05/25/62/535052562.db2.gz BCNJWDHIDRVFTI-UHXUPSOCSA-N 1 0 283.416 1.027 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159728321 363234432 /nfs/dbraw/zinc/23/44/32/363234432.db2.gz ZKHWDGYTIXWQEX-ZDUSSCGKSA-N 1 0 285.432 1.831 20 70 CDIDRO CC(C)Oc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000160096483 188454988 /nfs/dbraw/zinc/45/49/88/188454988.db2.gz AIBIUXOPNGTOCI-UHFFFAOYSA-N 1 0 250.342 1.941 20 70 CDIDRO COc1ccc(CCC(=O)NCCC[NH3+])cc1Cl ZINC000159992374 188450266 /nfs/dbraw/zinc/45/02/66/188450266.db2.gz PEDDGDAAVRWQFL-UHFFFAOYSA-N 1 0 270.760 1.746 20 70 CDIDRO [NH3+]CCCNC(=O)c1cccc(OCc2cccnc2)c1 ZINC000160050751 188452826 /nfs/dbraw/zinc/45/28/26/188452826.db2.gz UYFOQHNNOSRDNA-UHFFFAOYSA-N 1 0 285.347 1.739 20 70 CDIDRO O=C(Nc1cnn(CC(F)F)c1)C1CC[NH2+]CC1 ZINC000160989765 188501809 /nfs/dbraw/zinc/50/18/09/188501809.db2.gz IHOIPEQOXZMUGA-UHFFFAOYSA-N 1 0 258.272 1.086 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000160803027 188492345 /nfs/dbraw/zinc/49/23/45/188492345.db2.gz FXFWJTXNYICPFO-JTQLQIEISA-N 1 0 281.425 1.803 20 70 CDIDRO CCc1ccccc1OCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161182763 188514093 /nfs/dbraw/zinc/51/40/93/188514093.db2.gz GFXOOMTYEWGSFN-CQSZACIVSA-N 1 0 276.380 1.838 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159868245 363385071 /nfs/dbraw/zinc/38/50/71/363385071.db2.gz FOJBQSNBHDZSBY-UWVGGRQHSA-N 1 0 259.419 1.520 20 70 CDIDRO Cc1cccc([C@@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000160735847 237187021 /nfs/dbraw/zinc/18/70/21/237187021.db2.gz YYHPWTUDOKXWLS-DZGCQCFKSA-N 1 0 276.380 1.593 20 70 CDIDRO COCCC[NH+]1CCC(NC(=O)C2(CCOC)CC2)CC1 ZINC000161453484 237201134 /nfs/dbraw/zinc/20/11/34/237201134.db2.gz XPUPJNOSTCIUET-UHFFFAOYSA-N 1 0 298.427 1.420 20 70 CDIDRO C[C@]1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000161428753 237201798 /nfs/dbraw/zinc/20/17/98/237201798.db2.gz MEBPOBXYBLPSPA-OBJOEFQTSA-N 1 0 268.426 1.873 20 70 CDIDRO O=C(NCCCc1cccc(F)c1)[C@@H]1CSCN1 ZINC000159450165 361701620 /nfs/dbraw/zinc/70/16/20/361701620.db2.gz RDLKFNKETPTRDE-LBPRGKRZSA-N 1 0 268.357 1.537 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000159504469 364222392 /nfs/dbraw/zinc/22/23/92/364222392.db2.gz UMGGYANJDWCJDB-BDAKNGLRSA-N 1 0 272.295 1.604 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(OC)c2)CC1 ZINC000159582600 364238203 /nfs/dbraw/zinc/23/82/03/364238203.db2.gz NYIWTSKHTIJRFT-UHFFFAOYSA-N 1 0 292.383 1.327 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159693246 364252705 /nfs/dbraw/zinc/25/27/05/364252705.db2.gz TXAKUPQYUILCIV-RBSFLKMASA-N 1 0 297.443 1.926 20 70 CDIDRO Cc1c([C@@H](C)[NH2+]CCO)nnn1-c1ccc(F)cc1 ZINC000159701075 364254730 /nfs/dbraw/zinc/25/47/30/364254730.db2.gz ZDYLYQAEKACKRU-SECBINFHSA-N 1 0 264.304 1.358 20 70 CDIDRO NC(=O)CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000159743664 364260719 /nfs/dbraw/zinc/26/07/19/364260719.db2.gz VJOXLDPPSLVERJ-UHFFFAOYSA-N 1 0 272.352 1.650 20 70 CDIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)cc(OC)c1 ZINC000159768620 364262562 /nfs/dbraw/zinc/26/25/62/364262562.db2.gz ADHWIDZHNPNBRS-UHFFFAOYSA-N 1 0 292.379 1.791 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)[NH+](C)C ZINC000159845371 364272984 /nfs/dbraw/zinc/27/29/84/364272984.db2.gz ZQSSQCNAIPWNJH-CYBMUJFWSA-N 1 0 275.352 1.850 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000160254489 364326062 /nfs/dbraw/zinc/32/60/62/364326062.db2.gz VWHMMSKQXHZBNP-AWEZNQCLSA-N 1 0 270.336 1.436 20 70 CDIDRO O=C(NCC[NH+]1CCCCC1)c1ccnc(-n2cccn2)c1 ZINC000159892822 364277284 /nfs/dbraw/zinc/27/72/84/364277284.db2.gz IBVHHASKDRSXAT-UHFFFAOYSA-N 1 0 299.378 1.483 20 70 CDIDRO CCC1(CO)CCN(C(=O)NCCn2ccnc2)CC1 ZINC000160731954 364401283 /nfs/dbraw/zinc/40/12/83/364401283.db2.gz JFNXVYKWUDZZON-UHFFFAOYSA-N 1 0 280.372 1.077 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000160733246 364402994 /nfs/dbraw/zinc/40/29/94/364402994.db2.gz JGDILVTUONFOTG-CYBMUJFWSA-N 1 0 292.379 1.916 20 70 CDIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160958431 364433969 /nfs/dbraw/zinc/43/39/69/364433969.db2.gz LPLPCBAOFHWNMJ-RYUDHWBXSA-N 1 0 291.395 1.426 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000160953513 364431833 /nfs/dbraw/zinc/43/18/33/364431833.db2.gz DHVQLRMBJABURY-HNNXBMFYSA-N 1 0 289.379 1.873 20 70 CDIDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181746 364461493 /nfs/dbraw/zinc/46/14/93/364461493.db2.gz DXWXLQZQXXNTMS-OFQRWUPVSA-N 1 0 289.423 1.764 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450084 373752090 /nfs/dbraw/zinc/75/20/90/373752090.db2.gz LEJUYYHOICIBKF-PWSUYJOCSA-N 1 0 278.327 1.594 20 70 CDIDRO COc1ccc(CNC(=O)C2([NH3+])CC2)cc1Cl ZINC000161491578 375633936 /nfs/dbraw/zinc/63/39/36/375633936.db2.gz QEZAHNKQOHDGPT-UHFFFAOYSA-N 1 0 254.717 1.456 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCC(=O)c1cccs1 ZINC000160125954 377048176 /nfs/dbraw/zinc/04/81/76/377048176.db2.gz KODAWGGOFLAQSP-SNVBAGLBSA-N 1 0 266.366 1.661 20 70 CDIDRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000160327690 377057224 /nfs/dbraw/zinc/05/72/24/377057224.db2.gz DRYIDQLIFOQWGH-LLVKDONJSA-N 1 0 255.362 1.472 20 70 CDIDRO Cc1nn(C)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160466535 377069551 /nfs/dbraw/zinc/06/95/51/377069551.db2.gz POSZWZKDNCLEAH-CYBMUJFWSA-N 1 0 278.400 1.579 20 70 CDIDRO COCC[NH2+]CC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160544255 377085137 /nfs/dbraw/zinc/08/51/37/377085137.db2.gz OGASHJQLAOZJRM-UHFFFAOYSA-N 1 0 280.343 1.210 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ncn1 ZINC000161230820 377493304 /nfs/dbraw/zinc/49/33/04/377493304.db2.gz PRNFPIIPSNZTOF-LBPRGKRZSA-N 1 0 290.392 1.879 20 70 CDIDRO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000159919661 390942328 /nfs/dbraw/zinc/94/23/28/390942328.db2.gz BEERYHVUJFYBLZ-XHSDSOJGSA-N 1 0 293.455 1.850 20 70 CDIDRO COc1cc(CN2CCC[C@@H]2C[NH3+])cc2c1OCO2 ZINC000159992536 392496342 /nfs/dbraw/zinc/49/63/42/392496342.db2.gz QYMWFATWMXYFCQ-LLVKDONJSA-N 1 0 264.325 1.347 20 70 CDIDRO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217522826 140163206 /nfs/dbraw/zinc/16/32/06/140163206.db2.gz NFIBKKFLBCDWRH-UKRRQHHQSA-N 1 0 275.396 1.629 20 70 CDIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@H](C)[NH3+])cc1 ZINC000161099672 292279395 /nfs/dbraw/zinc/27/93/95/292279395.db2.gz IDBGWMBVYGWQFJ-AEGPPILISA-N 1 0 276.380 1.926 20 70 CDIDRO CCOc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000217281534 260092865 /nfs/dbraw/zinc/09/28/65/260092865.db2.gz FHYLQGIQLCVGSV-UHFFFAOYSA-N 1 0 292.383 1.112 20 70 CDIDRO C(CN1CC[C@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161268874 275393447 /nfs/dbraw/zinc/39/34/47/275393447.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 1 0 281.444 1.269 20 70 CDIDRO COC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000159596327 277604679 /nfs/dbraw/zinc/60/46/79/277604679.db2.gz RSVQPWDTOCZWSR-BBRMVZONSA-N 1 0 288.391 1.586 20 70 CDIDRO COc1ccc(/C=C\C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000217533097 280088905 /nfs/dbraw/zinc/08/89/05/280088905.db2.gz NONBTMYGSDXLRG-PIZKADEWSA-N 1 0 274.364 1.906 20 70 CDIDRO Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160126629 280508350 /nfs/dbraw/zinc/50/83/50/280508350.db2.gz DBFOJZOSCFRGBP-GFCCVEGCSA-N 1 0 282.771 1.977 20 70 CDIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCOC2)CC1 ZINC000160942060 292796781 /nfs/dbraw/zinc/79/67/81/292796781.db2.gz DGDTXVXTBVKHGE-OAHLLOKOSA-N 1 0 297.443 1.786 20 70 CDIDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160199007 482788857 /nfs/dbraw/zinc/78/88/57/482788857.db2.gz UZNSDNKQLJCNQC-AWEZNQCLSA-N 1 0 267.369 1.749 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000160992316 482850224 /nfs/dbraw/zinc/85/02/24/482850224.db2.gz XXRAGWGCCFBMGG-NWDGAFQWSA-N 1 0 272.352 1.263 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n(C)n1 ZINC000161031722 482854741 /nfs/dbraw/zinc/85/47/41/482854741.db2.gz DUAIQOCHLLUCCK-MNOVXSKESA-N 1 0 264.373 1.543 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(F)c1 ZINC000161145660 482864453 /nfs/dbraw/zinc/86/44/53/482864453.db2.gz DGUQHYVJIMAIKH-GDLCADMTSA-N 1 0 280.343 1.837 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COCCc2ccccc2)C1 ZINC000161272691 482872836 /nfs/dbraw/zinc/87/28/36/482872836.db2.gz SPTKLFHMSUBHAD-HUUCEWRRSA-N 1 0 276.380 1.632 20 70 CDIDRO CNC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161444187 482877815 /nfs/dbraw/zinc/87/78/15/482877815.db2.gz COQNXVXCXZVEPA-QWHCGFSZSA-N 1 0 275.352 1.046 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000160380447 519851880 /nfs/dbraw/zinc/85/18/80/519851880.db2.gz JPVYMXVRMNTVJY-UHFFFAOYSA-N 1 0 276.384 1.456 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000161115403 523994567 /nfs/dbraw/zinc/99/45/67/523994567.db2.gz HIOUXIBLELIGQN-UWVGGRQHSA-N 1 0 283.759 1.313 20 70 CDIDRO CNC(=O)CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160924549 524056056 /nfs/dbraw/zinc/05/60/56/524056056.db2.gz NDHLGGGGZNMAOK-UHFFFAOYSA-N 1 0 286.379 1.682 20 70 CDIDRO Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)cc[nH+]1 ZINC000160911782 525272964 /nfs/dbraw/zinc/27/29/64/525272964.db2.gz CYPGJZVYKFCCSV-UHFFFAOYSA-N 1 0 291.376 1.692 20 70 CDIDRO COc1cccc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995145 525950140 /nfs/dbraw/zinc/95/01/40/525950140.db2.gz LDARQRUYMVNIQT-UKRRQHHQSA-N 1 0 264.369 1.633 20 70 CDIDRO CC(C)(C[NH3+])C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000161046686 527069390 /nfs/dbraw/zinc/06/93/90/527069390.db2.gz PQCFPHVGONXBBI-UHFFFAOYSA-N 1 0 273.336 1.129 20 70 CDIDRO CCc1nnc(C)cc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159776825 535840083 /nfs/dbraw/zinc/84/00/83/535840083.db2.gz NYXPXOFFYMDWSO-ZDUSSCGKSA-N 1 0 262.357 1.157 20 70 CDIDRO Cc1noc(Cl)c1CCC(=O)NCC(C)(C)[NH3+] ZINC000159947321 361963627 /nfs/dbraw/zinc/96/36/27/361963627.db2.gz DCNLRQOJOWONKU-UHFFFAOYSA-N 1 0 259.737 1.423 20 70 CDIDRO CCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])COC ZINC000159628647 362353829 /nfs/dbraw/zinc/35/38/29/362353829.db2.gz MNASOBMKABOUQR-ZDUSSCGKSA-N 1 0 250.342 1.399 20 70 CDIDRO CO[C@]1(C[NH2+]Cc2cnc3ccccc3n2)CCOC1 ZINC000160142272 362397472 /nfs/dbraw/zinc/39/74/72/362397472.db2.gz ATMDJYSHCBSKOR-HNNXBMFYSA-N 1 0 273.336 1.525 20 70 CDIDRO O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CC[NH2+]CC1 ZINC000217692045 344852246 /nfs/dbraw/zinc/85/22/46/344852246.db2.gz JZQBSVUXSWZOMZ-GFCCVEGCSA-N 1 0 266.728 1.075 20 70 CDIDRO C[NH+](C)C1(CNc2ccccc2S(N)(=O)=O)CCCC1 ZINC000161028857 365818190 /nfs/dbraw/zinc/81/81/90/365818190.db2.gz HKDGFSGXPPRTLC-UHFFFAOYSA-N 1 0 297.424 1.620 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161364822 362799010 /nfs/dbraw/zinc/79/90/10/362799010.db2.gz CUXXNZAJNKEQHP-CABZTGNLSA-N 1 0 265.357 1.338 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159699380 188436949 /nfs/dbraw/zinc/43/69/49/188436949.db2.gz BMNIEYPVSGLJTF-SSDOTTSWSA-N 1 0 264.251 1.239 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160007984 363572714 /nfs/dbraw/zinc/57/27/14/363572714.db2.gz GUVCNHIOTVSMGF-HBNTYKKESA-N 1 0 271.430 1.662 20 70 CDIDRO C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Oc1ccccc1F ZINC000161164218 358789350 /nfs/dbraw/zinc/78/93/50/358789350.db2.gz QQENDWVNYQJGQN-HZMBPMFUSA-N 1 0 284.306 1.411 20 70 CDIDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc(-n2cccn2)c1 ZINC000160567417 359652289 /nfs/dbraw/zinc/65/22/89/359652289.db2.gz ZQABAOBVFJXDJC-WDEREUQCSA-N 1 0 258.325 1.397 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000159923029 360009249 /nfs/dbraw/zinc/00/92/49/360009249.db2.gz OPLLJANVHCFHLC-HNNXBMFYSA-N 1 0 294.420 1.533 20 70 CDIDRO C[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160970637 360216286 /nfs/dbraw/zinc/21/62/86/360216286.db2.gz JGXWHRFIYUTEJO-GXFFZTMASA-N 1 0 264.369 1.481 20 70 CDIDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000160320691 361423198 /nfs/dbraw/zinc/42/31/98/361423198.db2.gz MKCURJCXDDCPHL-OLZOCXBDSA-N 1 0 276.384 1.046 20 70 CDIDRO NC(=O)[C@H]1CCCN1Cc1cnc(-c2ccccn2)s1 ZINC000160374611 363835504 /nfs/dbraw/zinc/83/55/04/363835504.db2.gz WLHSMYHLNIMFJV-GFCCVEGCSA-N 1 0 288.376 1.655 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000159371509 364193640 /nfs/dbraw/zinc/19/36/40/364193640.db2.gz RJZLTKJOKRTRQN-GXFFZTMASA-N 1 0 282.771 1.758 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000159425103 364204918 /nfs/dbraw/zinc/20/49/18/364204918.db2.gz BDGACABCVKBZPY-MGPQQGTHSA-N 1 0 278.396 1.607 20 70 CDIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c(OC)c1 ZINC000159472970 364213047 /nfs/dbraw/zinc/21/30/47/364213047.db2.gz FMPQFUZEBUVMDO-MNOVXSKESA-N 1 0 296.367 1.343 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159650105 364248159 /nfs/dbraw/zinc/24/81/59/364248159.db2.gz FQCOLUXLUYDTAZ-QMMMGPOBSA-N 1 0 294.742 1.396 20 70 CDIDRO Cc1ccccc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000159684865 364250514 /nfs/dbraw/zinc/25/05/14/364250514.db2.gz ZWVWHHFWHHMJKA-ZDUSSCGKSA-N 1 0 285.409 1.707 20 70 CDIDRO O=C(Nc1ccc(F)cc1OCC1CC1)[C@H]1C[NH2+]CCO1 ZINC000160679075 364393903 /nfs/dbraw/zinc/39/39/03/364393903.db2.gz UIZULKAVXOAAEK-CQSZACIVSA-N 1 0 294.326 1.541 20 70 CDIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160958120 364432747 /nfs/dbraw/zinc/43/27/47/364432747.db2.gz LPLPCBAOFHWNMJ-NWDGAFQWSA-N 1 0 291.395 1.426 20 70 CDIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)c1ccc(F)cc1F ZINC000161040819 364441586 /nfs/dbraw/zinc/44/15/86/364441586.db2.gz NFNHMBRYPGPWIJ-UFBFGSQYSA-N 1 0 299.321 1.850 20 70 CDIDRO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000217844080 367259406 /nfs/dbraw/zinc/25/94/06/367259406.db2.gz HYMTVKIFCYHIPP-IUIKQTSFSA-N 1 0 288.391 1.465 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000159928889 139907880 /nfs/dbraw/zinc/90/78/80/139907880.db2.gz SSXGJXYWOBNQIN-ZDUSSCGKSA-N 1 0 286.372 1.492 20 70 CDIDRO CC(C)C[C@@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000161233394 377198627 /nfs/dbraw/zinc/19/86/27/377198627.db2.gz KVSXDHFUHBLZBQ-ZDUSSCGKSA-N 1 0 256.390 1.242 20 70 CDIDRO O=C(NC[C@H](O)C1CCCCC1)[C@H]1CCn2ccnc2C1 ZINC000161302302 377185385 /nfs/dbraw/zinc/18/53/85/377185385.db2.gz NLUIQLAWUUYPQS-KBPBESRZSA-N 1 0 291.395 1.503 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000161213640 377470519 /nfs/dbraw/zinc/47/05/19/377470519.db2.gz UYPKLOVLXGNHMF-CQSZACIVSA-N 1 0 295.427 1.093 20 70 CDIDRO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160029846 533328252 /nfs/dbraw/zinc/32/82/52/533328252.db2.gz KTEOZXJAKAILCD-CQSZACIVSA-N 1 0 292.379 1.272 20 70 CDIDRO COc1cccc(CCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160348747 391507955 /nfs/dbraw/zinc/50/79/55/391507955.db2.gz ZNGGOGVPYZDUND-CYBMUJFWSA-N 1 0 262.353 1.578 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000160360449 391508243 /nfs/dbraw/zinc/50/82/43/391508243.db2.gz XYQGUMKOZUDYHQ-ZDUSSCGKSA-N 1 0 295.358 1.839 20 70 CDIDRO CCCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590827 /nfs/dbraw/zinc/59/08/27/391590827.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 1 0 288.457 1.370 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1c(C)nn(C)c1OC ZINC000217391364 140162751 /nfs/dbraw/zinc/16/27/51/140162751.db2.gz AUHDJKAFXCFIAV-LLVKDONJSA-N 1 0 268.405 1.557 20 70 CDIDRO CC[NH+](CC)[C@H](C(=O)NC[C@@H](O)COC)c1ccccc1 ZINC000159545557 276337904 /nfs/dbraw/zinc/33/79/04/276337904.db2.gz QLXFHIKZYLRRFT-CABCVRRESA-N 1 0 294.395 1.193 20 70 CDIDRO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000217340382 277073981 /nfs/dbraw/zinc/07/39/81/277073981.db2.gz HHGIIABVVHBJQP-XQQFMLRXSA-N 1 0 284.400 1.232 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)Cc1ccccc1 ZINC000161378863 277276744 /nfs/dbraw/zinc/27/67/44/277276744.db2.gz QXMLIEZKQJZDSR-HNNXBMFYSA-N 1 0 275.396 1.329 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccncc2Cl)[C@@H](C[NH3+])C1 ZINC000161115488 277291672 /nfs/dbraw/zinc/29/16/72/277291672.db2.gz HIOUXIBLELIGQN-NXEZZACHSA-N 1 0 283.759 1.313 20 70 CDIDRO CCOC(=O)N1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000218116192 280090302 /nfs/dbraw/zinc/09/03/02/280090302.db2.gz RUODJAMBJOHMDJ-GJZGRUSLSA-N 1 0 295.427 1.824 20 70 CDIDRO C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000161210842 292802538 /nfs/dbraw/zinc/80/25/38/292802538.db2.gz SIWKWSURBAEUBH-GDBMZVCRSA-N 1 0 297.443 1.663 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCCNC(=O)C1CCC1 ZINC000161249593 292803250 /nfs/dbraw/zinc/80/32/50/292803250.db2.gz CZIIZOFLLDFOBU-UHFFFAOYSA-N 1 0 283.416 1.174 20 70 CDIDRO [NH3+]CCC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082528 303371967 /nfs/dbraw/zinc/37/19/67/303371967.db2.gz FRBNMCSNUUZDGZ-UHFFFAOYSA-N 1 0 278.196 1.679 20 70 CDIDRO Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160847848 482832529 /nfs/dbraw/zinc/83/25/29/482832529.db2.gz FQPVXGCMEAULON-KPXOXKRLSA-N 1 0 265.357 1.781 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cncc(Br)c2)C1 ZINC000161006240 482852095 /nfs/dbraw/zinc/85/20/95/482852095.db2.gz JLHYWCPJAPECRO-MNOVXSKESA-N 1 0 298.184 1.844 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000161015318 482853247 /nfs/dbraw/zinc/85/32/47/482853247.db2.gz ZWMIGRRTMHMFBZ-NWDGAFQWSA-N 1 0 292.383 1.656 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCOC(C)C)CC1 ZINC000161329929 519645151 /nfs/dbraw/zinc/64/51/51/519645151.db2.gz MOPNUEMBTOULHT-UHFFFAOYSA-N 1 0 256.390 1.838 20 70 CDIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000159668605 526682454 /nfs/dbraw/zinc/68/24/54/526682454.db2.gz SKFZCXNBJMJMQQ-VXGBXAGGSA-N 1 0 270.417 1.929 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000159668228 526740200 /nfs/dbraw/zinc/74/02/00/526740200.db2.gz SKFZCXNBJMJMQQ-RYUDHWBXSA-N 1 0 270.417 1.929 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)N3CCC[C@H]3C[NH3+])cc21 ZINC000160342133 528514388 /nfs/dbraw/zinc/51/43/88/528514388.db2.gz ZQLDQTVXRZNMDM-NSHDSACASA-N 1 0 288.351 1.910 20 70 CDIDRO CCOC(=O)CCc1ccc(NC(=O)[C@H](C)C[NH2+]C)cc1 ZINC000160492868 528763151 /nfs/dbraw/zinc/76/31/51/528763151.db2.gz SRDHMSXNPIJREE-GFCCVEGCSA-N 1 0 292.379 1.976 20 70 CDIDRO CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217541340 631436066 /nfs/dbraw/zinc/43/60/66/631436066.db2.gz PHXYPIMXBBDSEZ-KGLIPLIRSA-N 1 0 269.433 1.742 20 70 CDIDRO C[C@@H]1C[N@H+](Cc2nn(C)c3ccccc23)CC[C@@H]1O ZINC000159433870 539114105 /nfs/dbraw/zinc/11/41/05/539114105.db2.gz YMNHWWVUIXUFDW-ABAIWWIYSA-N 1 0 259.353 1.776 20 70 CDIDRO CC[C@H](C)OCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000160249352 362083169 /nfs/dbraw/zinc/08/31/69/362083169.db2.gz DGSKNTZFFFGYNB-ZDUSSCGKSA-N 1 0 284.400 1.125 20 70 CDIDRO CC[C@@H]1CCCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159371644 362316909 /nfs/dbraw/zinc/31/69/09/362316909.db2.gz QAFVEMYRLPFZAF-ZIAGYGMSSA-N 1 0 268.401 1.936 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)Nc1ccccc1N1CCCCC1 ZINC000159438181 362322445 /nfs/dbraw/zinc/32/24/45/362322445.db2.gz PIKHCEWTTSOJHM-GFCCVEGCSA-N 1 0 277.368 1.589 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159613481 362351287 /nfs/dbraw/zinc/35/12/87/362351287.db2.gz HAUCAKHKJJCMQS-VXGBXAGGSA-N 1 0 258.431 1.961 20 70 CDIDRO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1 ZINC000160261224 362406951 /nfs/dbraw/zinc/40/69/51/362406951.db2.gz BPDORDSDXPECGX-ZDUSSCGKSA-N 1 0 262.353 1.504 20 70 CDIDRO [NH3+]CCCNC(=O)c1c(F)cccc1Br ZINC000160158283 362399836 /nfs/dbraw/zinc/39/98/36/362399836.db2.gz TVOGKHNXJNHVML-UHFFFAOYSA-N 1 0 275.121 1.667 20 70 CDIDRO COCCOCCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000160151379 362400444 /nfs/dbraw/zinc/40/04/44/362400444.db2.gz WOKOLWQBRMVPQQ-KGLIPLIRSA-N 1 0 286.416 1.453 20 70 CDIDRO C[C@H](CCO)C[NH2+]Cc1cncc(Br)c1 ZINC000160585786 362451855 /nfs/dbraw/zinc/45/18/55/362451855.db2.gz QNLCJIZITCVNFD-SECBINFHSA-N 1 0 273.174 1.952 20 70 CDIDRO CCOCCCNC(=O)[C@@H](C)N(CC)Cc1ccccn1 ZINC000161080301 362561858 /nfs/dbraw/zinc/56/18/58/362561858.db2.gz KPWRWNCZTYQNDD-CQSZACIVSA-N 1 0 293.411 1.835 20 70 CDIDRO O=C([C@@H]1CCCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000161186552 366016357 /nfs/dbraw/zinc/01/63/57/366016357.db2.gz GMRJUWJDTGXAIB-AWEZNQCLSA-N 1 0 266.385 1.642 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000160011489 188451015 /nfs/dbraw/zinc/45/10/15/188451015.db2.gz XTMVXBZOFPMAHQ-UHFFFAOYSA-N 1 0 275.352 1.281 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)C1 ZINC000160476335 188475427 /nfs/dbraw/zinc/47/54/27/188475427.db2.gz XYRWUSMLPRWOSD-NWDGAFQWSA-N 1 0 294.420 1.996 20 70 CDIDRO CS(=O)(=O)c1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000159738294 363254004 /nfs/dbraw/zinc/25/40/04/363254004.db2.gz GAUAZGVCBBWSHH-UHFFFAOYSA-N 1 0 296.436 1.666 20 70 CDIDRO CC(C)(C)NC(=O)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000159867561 363386084 /nfs/dbraw/zinc/38/60/84/363386084.db2.gz GSLMKDCVTLEUNK-UHFFFAOYSA-N 1 0 299.415 1.546 20 70 CDIDRO CCOCCC1(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000159861783 363390774 /nfs/dbraw/zinc/39/07/74/363390774.db2.gz LWJYDDJECIHWQH-CYBMUJFWSA-N 1 0 297.443 1.975 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1occc1Br ZINC000160293236 283473702 /nfs/dbraw/zinc/47/37/02/283473702.db2.gz AEEZQSUBUDTYQX-ZETCQYMHSA-N 1 0 273.130 1.605 20 70 CDIDRO CC(C)COC[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160991137 359947053 /nfs/dbraw/zinc/94/70/53/359947053.db2.gz MBLHMTWGCQWAGG-BZUAXINKSA-N 1 0 285.428 1.647 20 70 CDIDRO C[C@@H](CNS(=O)(=O)c1cccc(N)c1)[NH+]1CCCC1 ZINC000160759155 361213370 /nfs/dbraw/zinc/21/33/70/361213370.db2.gz XQTOEOXUMODWQL-NSHDSACASA-N 1 0 283.397 1.031 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000160241638 363791362 /nfs/dbraw/zinc/79/13/62/363791362.db2.gz AHZRJLBNKFFMEL-LBPRGKRZSA-N 1 0 271.332 1.580 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1C ZINC000160258838 363800000 /nfs/dbraw/zinc/80/00/00/363800000.db2.gz PLGMPXBBAKIYDI-ZDUSSCGKSA-N 1 0 267.369 1.749 20 70 CDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000160274133 363805096 /nfs/dbraw/zinc/80/50/96/363805096.db2.gz TXSQCHMYDNUZDW-ZIAGYGMSSA-N 1 0 283.416 1.585 20 70 CDIDRO O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000159502000 364222027 /nfs/dbraw/zinc/22/20/27/364222027.db2.gz RMIANIZHNMRQFB-LLVKDONJSA-N 1 0 271.324 1.410 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000159449968 364208230 /nfs/dbraw/zinc/20/82/30/364208230.db2.gz AJPQLUBWPUWTEZ-RYUDHWBXSA-N 1 0 287.363 1.874 20 70 CDIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@](C)(O)c1ccccc1 ZINC000159587189 364238403 /nfs/dbraw/zinc/23/84/03/364238403.db2.gz DXZCEPGHICZDRO-BPUTZDHNSA-N 1 0 263.381 1.987 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159897554 364279433 /nfs/dbraw/zinc/27/94/33/364279433.db2.gz XEMZEXPIZQWOCO-PWSUYJOCSA-N 1 0 295.408 1.210 20 70 CDIDRO CCNC(=O)CN(CC)Cc1cc(C(=O)OC)c(C)o1 ZINC000160099870 364305871 /nfs/dbraw/zinc/30/58/71/364305871.db2.gz ZOQCZXTUKARBQL-UHFFFAOYSA-N 1 0 282.340 1.333 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000160517209 364366184 /nfs/dbraw/zinc/36/61/84/364366184.db2.gz QHUYMEZBFXECKE-LBPRGKRZSA-N 1 0 270.336 1.511 20 70 CDIDRO Cc1cccc(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160557973 364374572 /nfs/dbraw/zinc/37/45/72/364374572.db2.gz WJKWKPAYRZITME-OAHLLOKOSA-N 1 0 290.407 1.880 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160422081 364350983 /nfs/dbraw/zinc/35/09/83/364350983.db2.gz NIUJFVUZCNMWDF-ZDUSSCGKSA-N 1 0 261.325 1.493 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NCC[C@H](O)c1ccccc1 ZINC000160850589 364419917 /nfs/dbraw/zinc/41/99/17/364419917.db2.gz QOPJJTDDDIVCDT-AAEUAGOBSA-N 1 0 250.342 1.082 20 70 CDIDRO COC(=O)NCc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000160957438 364431877 /nfs/dbraw/zinc/43/18/77/364431877.db2.gz SPZNSFFVOXIYKV-LBPRGKRZSA-N 1 0 279.340 1.464 20 70 CDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161065225 283846984 /nfs/dbraw/zinc/84/69/84/283846984.db2.gz PBSGEYXRGWSXID-KKUMJFAQSA-N 1 0 280.412 1.840 20 70 CDIDRO COc1cc(C[NH2+]C[C@](C)(O)CSC)cc2c1OCO2 ZINC000217843979 367260155 /nfs/dbraw/zinc/26/01/55/367260155.db2.gz ONDJXYUMJPSESX-AWEZNQCLSA-N 1 0 299.392 1.628 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000160123211 377047700 /nfs/dbraw/zinc/04/77/00/377047700.db2.gz GWILBCNVXAOFOW-NSHDSACASA-N 1 0 283.416 1.125 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161228592 377198313 /nfs/dbraw/zinc/19/83/13/377198313.db2.gz UMAMZCORZMUDLC-AWEZNQCLSA-N 1 0 299.459 1.956 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160713085 532970446 /nfs/dbraw/zinc/97/04/46/532970446.db2.gz CPMFDDOLTJYWMR-SNVBAGLBSA-N 1 0 288.376 1.639 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)C(C)(C)C[NH3+])c1 ZINC000161166372 390953781 /nfs/dbraw/zinc/95/37/81/390953781.db2.gz FDEFBLFWZRSSAH-GFCCVEGCSA-N 1 0 264.369 1.863 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159703356 390976171 /nfs/dbraw/zinc/97/61/71/390976171.db2.gz PQPHNIPLGMSMNM-CABCVRRESA-N 1 0 276.380 1.975 20 70 CDIDRO CCC[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217633621 392964592 /nfs/dbraw/zinc/96/45/92/392964592.db2.gz WMXFAUXFHQFCCL-HZSPNIEDSA-N 1 0 270.417 1.632 20 70 CDIDRO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](O)C1 ZINC000218680612 140164494 /nfs/dbraw/zinc/16/44/94/140164494.db2.gz RAUDMEZOISVRES-DGCLKSJQSA-N 1 0 280.343 1.287 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCOCC2CCOCC2)C1 ZINC000160580267 147720801 /nfs/dbraw/zinc/72/08/01/147720801.db2.gz JARVVHULICWQTP-HUUCEWRRSA-N 1 0 298.427 1.453 20 70 CDIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000160828814 287530422 /nfs/dbraw/zinc/53/04/22/287530422.db2.gz WXPNMEMHGAEGDC-UONOGXRCSA-N 1 0 295.427 1.093 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000159497628 274266419 /nfs/dbraw/zinc/26/64/19/274266419.db2.gz IUPASUDRGGTMLE-OLZOCXBDSA-N 1 0 276.380 1.667 20 70 CDIDRO C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC(C)(C)O1 ZINC000159735952 274360706 /nfs/dbraw/zinc/36/07/06/274360706.db2.gz HRXQSDJSMXRRPM-SNVBAGLBSA-N 1 0 288.355 1.248 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(F)cccc2C1 ZINC000161059057 277057308 /nfs/dbraw/zinc/05/73/08/277057308.db2.gz HGIXFNMRRYLHKE-CQSZACIVSA-N 1 0 262.328 1.805 20 70 CDIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2cnn(C)c2n1 ZINC000160393612 280344715 /nfs/dbraw/zinc/34/47/15/280344715.db2.gz HMLQCVPOGHNXAF-TXEJJXNPSA-N 1 0 299.378 1.243 20 70 CDIDRO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159532960 281209145 /nfs/dbraw/zinc/20/91/45/281209145.db2.gz KKBCHRSDGLDJFE-OLZOCXBDSA-N 1 0 264.369 1.943 20 70 CDIDRO CN(C(=O)c1ccc2[nH]ccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159806378 292770098 /nfs/dbraw/zinc/77/00/98/292770098.db2.gz QLSMDUXJWYGESS-CQSZACIVSA-N 1 0 257.337 1.977 20 70 CDIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000161100886 301841362 /nfs/dbraw/zinc/84/13/62/301841362.db2.gz IDBGWMBVYGWQFJ-BPLDGKMQSA-N 1 0 276.380 1.926 20 70 CDIDRO [NH3+]C1(CC(=O)Nc2cnn(CC(F)(F)F)c2)CCC1 ZINC000159702196 482742425 /nfs/dbraw/zinc/74/24/25/482742425.db2.gz OTNCPXFOYRVLQY-UHFFFAOYSA-N 1 0 276.262 1.655 20 70 CDIDRO COC[C@H](NC(=O)[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000161144615 482864177 /nfs/dbraw/zinc/86/41/77/482864177.db2.gz VSZRJYWMTMKOJR-KCJUWKMLSA-N 1 0 290.285 1.856 20 70 CDIDRO COc1cccc(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161186566 482867574 /nfs/dbraw/zinc/86/75/74/482867574.db2.gz UGNOPDAEKDMIEZ-CHWSQXEVSA-N 1 0 262.353 1.624 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000161269403 519645342 /nfs/dbraw/zinc/64/53/42/519645342.db2.gz HGWRHOKOROXIAE-UHFFFAOYSA-N 1 0 278.400 1.688 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC000160392811 519722594 /nfs/dbraw/zinc/72/25/94/519722594.db2.gz KUGOEDFZYYLLQX-CYBMUJFWSA-N 1 0 277.368 1.637 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000160764852 522393711 /nfs/dbraw/zinc/39/37/11/522393711.db2.gz SEROCTZQGQFGHM-CYBMUJFWSA-N 1 0 270.336 1.306 20 70 CDIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(N)=O ZINC000161239521 522792763 /nfs/dbraw/zinc/79/27/63/522792763.db2.gz MWYDECZNZULJKG-UHFFFAOYSA-N 1 0 272.352 1.426 20 70 CDIDRO COCCN1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159615464 523816396 /nfs/dbraw/zinc/81/63/96/523816396.db2.gz LKQHBOLXFZEMDQ-ZDUSSCGKSA-N 1 0 258.431 1.582 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000160333352 526479718 /nfs/dbraw/zinc/47/97/18/526479718.db2.gz NFUYURYWZLJNSY-UHFFFAOYSA-N 1 0 275.352 1.607 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OCC(N)=O)cc1 ZINC000217399615 617837601 /nfs/dbraw/zinc/83/76/01/617837601.db2.gz ZKNJVWRNCRUCME-CYBMUJFWSA-N 1 0 293.411 1.371 20 70 CDIDRO CN(C(=O)c1cccc2[nH]ccc21)[C@H](C[NH3+])C1CC1 ZINC000159833049 342072842 /nfs/dbraw/zinc/07/28/42/342072842.db2.gz OZTLBUGORVEQBA-CQSZACIVSA-N 1 0 257.337 1.977 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159507978 361871641 /nfs/dbraw/zinc/87/16/41/361871641.db2.gz YMKVJSNGJFXDTP-IINYFYTJSA-N 1 0 296.798 1.959 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000159964169 361976914 /nfs/dbraw/zinc/97/69/14/361976914.db2.gz YPOYKGBOXHLBRQ-CQSZACIVSA-N 1 0 269.389 1.293 20 70 CDIDRO C[NH+]1CCC(N(CCO)Cc2cnc3ccccn23)CC1 ZINC000160141853 539115418 /nfs/dbraw/zinc/11/54/18/539115418.db2.gz GOQVRBFVHCJNES-UHFFFAOYSA-N 1 0 288.395 1.223 20 70 CDIDRO O=C(NCC[NH2+][C@@H]1CCCc2cccnc21)C1CC1 ZINC000160708690 539116251 /nfs/dbraw/zinc/11/62/51/539116251.db2.gz KGXCBGFYEOWREH-CYBMUJFWSA-N 1 0 259.353 1.575 20 70 CDIDRO CCCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161383425 539117651 /nfs/dbraw/zinc/11/76/51/539117651.db2.gz WHXBINWZGYXAIN-ZDUSSCGKSA-N 1 0 276.384 1.118 20 70 CDIDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000160821435 362182345 /nfs/dbraw/zinc/18/23/45/362182345.db2.gz YZIWVAIUFJEZOG-YPMHNXCESA-N 1 0 288.351 1.778 20 70 CDIDRO CCN(CC(=O)N1CCC[C@H](C)C1)Cc1cnn(C)c1 ZINC000161099363 362588348 /nfs/dbraw/zinc/58/83/48/362588348.db2.gz HITDILKPJBZDNT-ZDUSSCGKSA-N 1 0 278.400 1.501 20 70 CDIDRO COC(=O)Cn1cc(CC[NH+]2[C@H](C)CCC[C@H]2C)nn1 ZINC000160112792 345585507 /nfs/dbraw/zinc/58/55/07/345585507.db2.gz KJQXSPCBPIVMPF-VXGBXAGGSA-N 1 0 280.372 1.257 20 70 CDIDRO CCc1ccc(OCC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160508081 188477667 /nfs/dbraw/zinc/47/76/67/188477667.db2.gz KHTVQPZEUWHZMI-CYBMUJFWSA-N 1 0 262.353 1.448 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC000160768977 188490720 /nfs/dbraw/zinc/49/07/20/188490720.db2.gz MANCADTWXXKKES-WCQYABFASA-N 1 0 264.344 1.825 20 70 CDIDRO CCC[NH+]1CCC(NC(=O)C(C)(C)COC)CC1 ZINC000159750199 363272968 /nfs/dbraw/zinc/27/29/68/363272968.db2.gz FKKMEQXXRXZUTR-UHFFFAOYSA-N 1 0 256.390 1.650 20 70 CDIDRO CC(C)C[C@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000159846239 363377621 /nfs/dbraw/zinc/37/76/21/363377621.db2.gz KWVOFVFTAMFQPU-UONOGXRCSA-N 1 0 284.448 1.356 20 70 CDIDRO C[C@@H]1C[C@@H](NC(=O)NCc2ncccc2F)C[N@@H+]1C1CC1 ZINC000160005048 363569781 /nfs/dbraw/zinc/56/97/81/363569781.db2.gz WNHUYXNZAAWYIZ-GHMZBOCLSA-N 1 0 292.358 1.645 20 70 CDIDRO C[C@@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000160367732 538848362 /nfs/dbraw/zinc/84/83/62/538848362.db2.gz HTFBJYMQRHXLCX-UONOGXRCSA-N 1 0 275.396 1.985 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC000160501674 482808543 /nfs/dbraw/zinc/80/85/43/482808543.db2.gz FXUZQVSIMDBRMP-SECBINFHSA-N 1 0 254.280 1.707 20 70 CDIDRO CS[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160666075 359003401 /nfs/dbraw/zinc/00/34/01/359003401.db2.gz GJRZQEIMNUINGJ-WDEREUQCSA-N 1 0 256.415 1.729 20 70 CDIDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160112507 363674594 /nfs/dbraw/zinc/67/45/94/363674594.db2.gz XIBAJIMDHIBBAC-MRXNPFEDSA-N 1 0 297.443 1.663 20 70 CDIDRO CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000161049144 361669599 /nfs/dbraw/zinc/66/95/99/361669599.db2.gz MZPNDPAPYMVMJI-JTQLQIEISA-N 1 0 250.346 1.689 20 70 CDIDRO C[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000160265863 363803034 /nfs/dbraw/zinc/80/30/34/363803034.db2.gz HYZNSAOKZJVECX-KGLIPLIRSA-N 1 0 295.427 1.045 20 70 CDIDRO COC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000159376438 364194644 /nfs/dbraw/zinc/19/46/44/364194644.db2.gz YFYQIQQWHILDHH-ZDUSSCGKSA-N 1 0 297.399 1.949 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000159392590 364198544 /nfs/dbraw/zinc/19/85/44/364198544.db2.gz QKMFBABITMLWHX-OLZOCXBDSA-N 1 0 264.369 1.346 20 70 CDIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)cc1OC ZINC000159404082 364199574 /nfs/dbraw/zinc/19/95/74/364199574.db2.gz CLHMXCHWGKJKHR-QWRGUYRKSA-N 1 0 296.367 1.343 20 70 CDIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cc1OC ZINC000159404198 364200337 /nfs/dbraw/zinc/20/03/37/364200337.db2.gz CLHMXCHWGKJKHR-MNOVXSKESA-N 1 0 296.367 1.343 20 70 CDIDRO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159469253 364213434 /nfs/dbraw/zinc/21/34/34/364213434.db2.gz XALVPPOXISAAJG-RYUDHWBXSA-N 1 0 280.368 1.013 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159823161 364270187 /nfs/dbraw/zinc/27/01/87/364270187.db2.gz VGJHJARPRCRQRF-WFASDCNBSA-N 1 0 260.381 1.979 20 70 CDIDRO COc1ccc2c(CC(=O)N3CCC[C@H]3C[NH3+])coc2c1 ZINC000160269355 364327781 /nfs/dbraw/zinc/32/77/81/364327781.db2.gz DUTYFOCEHLVUCV-LBPRGKRZSA-N 1 0 288.347 1.934 20 70 CDIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315652 364332681 /nfs/dbraw/zinc/33/26/81/364332681.db2.gz VAUJCMSIPPFRIM-QWHCGFSZSA-N 1 0 274.372 1.376 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000160313883 364333099 /nfs/dbraw/zinc/33/30/99/364333099.db2.gz IDOWSQDZSOJISJ-MRVPVSSYSA-N 1 0 268.700 1.242 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160071045 364302660 /nfs/dbraw/zinc/30/26/60/364302660.db2.gz TVXDCSVZALBZQQ-NXEZZACHSA-N 1 0 268.307 1.922 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000160473340 364357069 /nfs/dbraw/zinc/35/70/69/364357069.db2.gz SIUNBXZVBUACHH-LBPRGKRZSA-N 1 0 288.326 1.650 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000160657158 364391034 /nfs/dbraw/zinc/39/10/34/364391034.db2.gz UCDXDWDFEPQABG-CQSZACIVSA-N 1 0 287.363 1.469 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000161165877 364457533 /nfs/dbraw/zinc/45/75/33/364457533.db2.gz OPHGFEYHHXFRLO-CZUORRHYSA-N 1 0 276.380 1.878 20 70 CDIDRO CCc1ccc(C(C)(C)CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000160869837 364422591 /nfs/dbraw/zinc/42/25/91/364422591.db2.gz OTDFLCKGXAMYBK-OAHLLOKOSA-N 1 0 290.407 1.631 20 70 CDIDRO Cn1nc2c(cc1=O)CN(CCC[NH+]1CCCCC1)CC2 ZINC000161396213 364487526 /nfs/dbraw/zinc/48/75/26/364487526.db2.gz HLFAFWACKTXWHV-UHFFFAOYSA-N 1 0 290.411 1.014 20 70 CDIDRO C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)Oc1ccccc1 ZINC000161465926 364497599 /nfs/dbraw/zinc/49/75/99/364497599.db2.gz OKQMOSJXIPAAGN-CJNGLKHVSA-N 1 0 276.380 1.960 20 70 CDIDRO C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)Oc1ccccc1 ZINC000161465579 364497829 /nfs/dbraw/zinc/49/78/29/364497829.db2.gz OKQMOSJXIPAAGN-XJKSGUPXSA-N 1 0 276.380 1.960 20 70 CDIDRO NC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218133781 367261395 /nfs/dbraw/zinc/26/13/95/367261395.db2.gz DGEFQOPCQMDJBT-GJZGRUSLSA-N 1 0 273.380 1.502 20 70 CDIDRO C[C@H]1CN(C(=O)N2CCC(C)CC2)C[C@H]1[NH+](C)C ZINC000160714256 372302823 /nfs/dbraw/zinc/30/28/23/372302823.db2.gz JNTWQJCGRWZTDR-QWHCGFSZSA-N 1 0 253.390 1.720 20 70 CDIDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000160327555 377057284 /nfs/dbraw/zinc/05/72/84/377057284.db2.gz DRYIDQLIFOQWGH-NSHDSACASA-N 1 0 255.362 1.472 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC000160526988 533036692 /nfs/dbraw/zinc/03/66/92/533036692.db2.gz FDYVCDDIKJNLDY-AAEUAGOBSA-N 1 0 262.353 1.619 20 70 CDIDRO C[C@H](O)C[C@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000217323385 140163160 /nfs/dbraw/zinc/16/31/60/140163160.db2.gz GNLXXCBNZHIUKZ-QWHCGFSZSA-N 1 0 278.400 1.740 20 70 CDIDRO CC[N@H+](CCO)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000217603027 140164236 /nfs/dbraw/zinc/16/42/36/140164236.db2.gz MNLOBTGHMDHBNQ-UONOGXRCSA-N 1 0 268.401 1.482 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)C[NH2+]C)C1(C)C ZINC000160503016 286323930 /nfs/dbraw/zinc/32/39/30/286323930.db2.gz BNNYNYZEQQOBKY-SDDRHHMPSA-N 1 0 256.390 1.504 20 70 CDIDRO Cc1nc(C)c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)o1 ZINC000159575056 274837285 /nfs/dbraw/zinc/83/72/85/274837285.db2.gz BGCDIHSIJJPUIJ-GFCCVEGCSA-N 1 0 271.320 1.822 20 70 CDIDRO CCSCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159420492 276394840 /nfs/dbraw/zinc/39/48/40/276394840.db2.gz ZTBOUDPLHQTJMG-CYBMUJFWSA-N 1 0 285.457 1.154 20 70 CDIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000160354071 277777696 /nfs/dbraw/zinc/77/76/96/277777696.db2.gz HBBGNTKVUHTXDN-KBPBESRZSA-N 1 0 268.401 1.650 20 70 CDIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)O ZINC000160635407 278220721 /nfs/dbraw/zinc/22/07/21/278220721.db2.gz XXMSUNCODRCCPO-LBPRGKRZSA-N 1 0 256.390 1.528 20 70 CDIDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000216997458 280088064 /nfs/dbraw/zinc/08/80/64/280088064.db2.gz PDWZTRHADMKBHK-TXNVCOODSA-N 1 0 276.336 1.528 20 70 CDIDRO CCOCCC1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000159483055 292760520 /nfs/dbraw/zinc/76/05/20/292760520.db2.gz ABJJOYCFRNCUKH-LBPRGKRZSA-N 1 0 256.390 1.650 20 70 CDIDRO CC[C@H](C(=O)NCCNC(=O)CC1CCCCC1)[NH+](C)C ZINC000159712725 292766794 /nfs/dbraw/zinc/76/67/94/292766794.db2.gz GCLBAAWVYQTESJ-CQSZACIVSA-N 1 0 297.443 1.529 20 70 CDIDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CCC1 ZINC000160288033 295276859 /nfs/dbraw/zinc/27/68/59/295276859.db2.gz VMUPPCMTNMVGQK-AWEZNQCLSA-N 1 0 259.353 1.807 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000218116978 329468260 /nfs/dbraw/zinc/46/82/60/329468260.db2.gz SJVDAAXRMJUNCC-CQSZACIVSA-N 1 0 294.395 1.111 20 70 CDIDRO CCc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160158775 482786392 /nfs/dbraw/zinc/78/63/92/482786392.db2.gz YZUAJLUJVQDIGP-CQSZACIVSA-N 1 0 281.396 1.597 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000160850753 482832720 /nfs/dbraw/zinc/83/27/20/482832720.db2.gz YTZIKDCSHVOCIP-KGLIPLIRSA-N 1 0 299.374 1.457 20 70 CDIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000161443788 482878344 /nfs/dbraw/zinc/87/83/44/482878344.db2.gz OLJMJPRYOCQQMS-KBPBESRZSA-N 1 0 299.378 1.575 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000160452964 520830846 /nfs/dbraw/zinc/83/08/46/520830846.db2.gz XIIILFIFEFDKGP-PWSUYJOCSA-N 1 0 258.362 1.031 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000160687474 521608856 /nfs/dbraw/zinc/60/88/56/521608856.db2.gz KKLGNGJXBJHWAK-UHFFFAOYSA-N 1 0 289.383 1.430 20 70 CDIDRO CCC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000161454552 528359406 /nfs/dbraw/zinc/35/94/06/528359406.db2.gz YLIVKMTYYQVTRQ-ZDUSSCGKSA-N 1 0 295.427 1.188 20 70 CDIDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159620352 361756529 /nfs/dbraw/zinc/75/65/29/361756529.db2.gz ZOYLLZASJZUVMI-GFCCVEGCSA-N 1 0 273.336 1.719 20 70 CDIDRO CO[C@@H]1CCN(C(=O)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000161146904 361887331 /nfs/dbraw/zinc/88/73/31/361887331.db2.gz HDFHOZKIFYBFAE-CHWSQXEVSA-N 1 0 269.389 1.276 20 70 CDIDRO CCCC[N@H+](CCO)CCCS(=O)(=O)C(C)C ZINC000160834433 362181539 /nfs/dbraw/zinc/18/15/39/362181539.db2.gz JVFOZAGLSLYLIV-UHFFFAOYSA-N 1 0 265.419 1.294 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N3CCC[C@H]3C[NH3+])cc12 ZINC000160274753 282291019 /nfs/dbraw/zinc/29/10/19/282291019.db2.gz NZWYMAGXLAJGQT-VIFPVBQESA-N 1 0 278.381 1.507 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000159447736 362322385 /nfs/dbraw/zinc/32/23/85/362322385.db2.gz OJHOMEGTHZVGBQ-IAQYHMDHSA-N 1 0 272.348 1.991 20 70 CDIDRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3cnn(C)c3)c(C)n2n1 ZINC000159762113 362366813 /nfs/dbraw/zinc/36/68/13/362366813.db2.gz VIZVLLUJFXUFPH-GFCCVEGCSA-N 1 0 298.394 1.973 20 70 CDIDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)[nH]c2C)C1 ZINC000160972237 362369358 /nfs/dbraw/zinc/36/93/58/362369358.db2.gz PXKOWVYGQHUGLC-LBPRGKRZSA-N 1 0 277.368 1.557 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(OC)c1 ZINC000159781692 362370207 /nfs/dbraw/zinc/37/02/07/362370207.db2.gz QOISYVHWKOHPPF-CYBMUJFWSA-N 1 0 278.352 1.513 20 70 CDIDRO CO[C@@]1(C[NH2+][C@H](C)Cc2ccc(O)cc2)CCOC1 ZINC000160098173 362393634 /nfs/dbraw/zinc/39/36/34/362393634.db2.gz CYXMOSZFPKDHLW-IUODEOHRSA-N 1 0 265.353 1.718 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000160643874 362459659 /nfs/dbraw/zinc/45/96/59/362459659.db2.gz IXMRBPHYPAPRHZ-OLZOCXBDSA-N 1 0 262.353 1.583 20 70 CDIDRO C[C@H]1CC(NC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000159708099 362502781 /nfs/dbraw/zinc/50/27/81/362502781.db2.gz UDPDKQOTUFMTAS-QWRGUYRKSA-N 1 0 269.389 1.336 20 70 CDIDRO C[C@H](NC(=O)NCc1ncccc1F)C(C)(C)C[NH+](C)C ZINC000160033543 363599675 /nfs/dbraw/zinc/59/96/75/363599675.db2.gz HKVXDMYXUUWASV-NSHDSACASA-N 1 0 296.390 1.996 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000160554100 358737937 /nfs/dbraw/zinc/73/79/37/358737937.db2.gz PYTFGXDEPQTFMV-CHWSQXEVSA-N 1 0 284.400 1.709 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161174833 358790307 /nfs/dbraw/zinc/79/03/07/358790307.db2.gz KNIZLQVBLJFQJV-IUODEOHRSA-N 1 0 280.343 1.580 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000160125451 237170916 /nfs/dbraw/zinc/17/09/16/237170916.db2.gz SKYZVGDCXPHOOG-UHFFFAOYSA-N 1 0 285.347 1.739 20 70 CDIDRO CC[C@@H](C)OCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160133548 363682338 /nfs/dbraw/zinc/68/23/38/363682338.db2.gz IBFBWQSLSZWHKC-NEPJUHHUSA-N 1 0 254.374 1.402 20 70 CDIDRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000159396642 361682221 /nfs/dbraw/zinc/68/22/21/361682221.db2.gz GTFGVQMCAPOEOR-GFCCVEGCSA-N 1 0 290.367 1.186 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000159409344 361697101 /nfs/dbraw/zinc/69/71/01/361697101.db2.gz LSSHTXMLOXQDTE-ZDUSSCGKSA-N 1 0 268.405 1.693 20 70 CDIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159520024 361727230 /nfs/dbraw/zinc/72/72/30/361727230.db2.gz MBOLGCBFRPBJCI-UKRRQHHQSA-N 1 0 298.390 1.958 20 70 CDIDRO CC[C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000160539307 363979922 /nfs/dbraw/zinc/97/99/22/363979922.db2.gz IIBNWBLGUWWWAT-AWEZNQCLSA-N 1 0 295.427 1.188 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159692537 364252439 /nfs/dbraw/zinc/25/24/39/364252439.db2.gz BPIUTWXOKSAQLY-SFYZADRCSA-N 1 0 276.262 1.511 20 70 CDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000159714242 364255569 /nfs/dbraw/zinc/25/55/69/364255569.db2.gz AJVKBRPDFLZRCB-ZWNOBZJWSA-N 1 0 294.399 1.788 20 70 CDIDRO COc1ccc(C(F)(F)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000160247760 364325841 /nfs/dbraw/zinc/32/58/41/364325841.db2.gz GBUQGBPPKVWRHY-UHFFFAOYSA-N 1 0 298.333 1.997 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2sc(C)nc2C)CC1 ZINC000159910810 364279440 /nfs/dbraw/zinc/27/94/40/364279440.db2.gz YBKFVQUIYOWMSP-UHFFFAOYSA-N 1 0 296.440 1.997 20 70 CDIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CCOC1 ZINC000159922396 364280174 /nfs/dbraw/zinc/28/01/74/364280174.db2.gz MOPAJLZOCIXLGS-WZRBSPASSA-N 1 0 255.383 1.970 20 70 CDIDRO CNC(=O)c1cc(C)ccc1NC(=O)C[NH2+]CC1CC1 ZINC000160617751 364382365 /nfs/dbraw/zinc/38/23/65/364382365.db2.gz ZXQUKJPLPRTEJQ-UHFFFAOYSA-N 1 0 275.352 1.293 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000160694751 364396044 /nfs/dbraw/zinc/39/60/44/364396044.db2.gz ZPUVOCXHSLYTLH-VIFPVBQESA-N 1 0 260.297 1.104 20 70 CDIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(=O)n1C ZINC000161174850 364459371 /nfs/dbraw/zinc/45/93/71/364459371.db2.gz IPEJADNWUTYNAM-GFCCVEGCSA-N 1 0 279.384 1.091 20 70 CDIDRO O=C(CSC[C@@H]1CCCCO1)N1CCC[NH2+]CC1 ZINC000160861278 364420549 /nfs/dbraw/zinc/42/05/49/364420549.db2.gz FJTSTRZFOSZXQF-LBPRGKRZSA-N 1 0 272.414 1.111 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCc2ccccc2O)CC1 ZINC000161397027 364487331 /nfs/dbraw/zinc/48/73/31/364487331.db2.gz JIXMHZHCCANKIW-UHFFFAOYSA-N 1 0 276.380 1.972 20 70 CDIDRO COC(C[N@H+](CCO)[C@@H]1CCc2ccccc21)OC ZINC000161430165 364492645 /nfs/dbraw/zinc/49/26/45/364492645.db2.gz LGWJUFIYUDNVOS-CQSZACIVSA-N 1 0 265.353 1.587 20 70 CDIDRO CCOC(=O)[C@@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000217682443 367258257 /nfs/dbraw/zinc/25/82/57/367258257.db2.gz PPMZRXQAKXAPBM-OAHLLOKOSA-N 1 0 276.380 1.928 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](O)C1 ZINC000160915898 376653340 /nfs/dbraw/zinc/65/33/40/376653340.db2.gz ZPDCFYVXWRLXTD-GJZGRUSLSA-N 1 0 297.443 1.663 20 70 CDIDRO CC[C@@H](C(=O)NC[C@@H](O)C1CCCCC1)[NH+](C)C ZINC000160242266 377041240 /nfs/dbraw/zinc/04/12/40/377041240.db2.gz LNDVCNDVELSKAV-QWHCGFSZSA-N 1 0 256.390 1.384 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C2(OC)CC[NH2+]CC2)C1(C)C ZINC000160504292 377082490 /nfs/dbraw/zinc/08/24/90/377082490.db2.gz VEOHZPNJOHHESA-CHWSQXEVSA-N 1 0 298.427 1.417 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000160631581 377098953 /nfs/dbraw/zinc/09/89/53/377098953.db2.gz CBSLSHAUOOFBMK-UHFFFAOYSA-N 1 0 290.407 1.738 20 70 CDIDRO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160216095 378557204 /nfs/dbraw/zinc/55/72/04/378557204.db2.gz RHMIDRRDVYGPCD-DGCLKSJQSA-N 1 0 264.344 1.954 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159703487 390976147 /nfs/dbraw/zinc/97/61/47/390976147.db2.gz PQPHNIPLGMSMNM-LSDHHAIUSA-N 1 0 276.380 1.975 20 70 CDIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000159683736 391633140 /nfs/dbraw/zinc/63/31/40/391633140.db2.gz PSCRYRUTHKXFIO-STQMWFEESA-N 1 0 252.358 1.110 20 70 CDIDRO CC(C)OCCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160349300 392504088 /nfs/dbraw/zinc/50/40/88/392504088.db2.gz WRZUCINCLQPYGN-DVOMOZLQSA-N 1 0 298.427 1.450 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C(N)=O)cc1 ZINC000217397947 140163550 /nfs/dbraw/zinc/16/35/50/140163550.db2.gz DQCRVEKHDJOTQR-GFCCVEGCSA-N 1 0 263.385 1.605 20 70 CDIDRO CCn1ccnc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000160673891 261222562 /nfs/dbraw/zinc/22/25/62/261222562.db2.gz KBXSYAXWDLAYJF-UHFFFAOYSA-N 1 0 286.379 1.931 20 70 CDIDRO COCCN(CC[NH2+]CC1CC1)C(=O)OC(C)(C)C ZINC000218140945 263032834 /nfs/dbraw/zinc/03/28/34/263032834.db2.gz PTZWNGZJJIJBRO-UHFFFAOYSA-N 1 0 272.389 1.870 20 70 CDIDRO CCC(CC)(CC)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000160989498 270241796 /nfs/dbraw/zinc/24/17/96/270241796.db2.gz XMFFBVZITSPDHP-GFCCVEGCSA-N 1 0 256.390 1.840 20 70 CDIDRO CCS[C@H]1CCCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159766119 276511768 /nfs/dbraw/zinc/51/17/68/276511768.db2.gz FPQFFPCFRJUVIB-RYUDHWBXSA-N 1 0 256.415 1.873 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000161198707 277284782 /nfs/dbraw/zinc/28/47/82/277284782.db2.gz IOAOPFQJVYIQOW-WDEREUQCSA-N 1 0 298.333 1.943 20 70 CDIDRO C[C@H](CNC(=O)[C@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000160160984 292779294 /nfs/dbraw/zinc/77/92/94/292779294.db2.gz ZZOZSHZQLJOAQA-CHWSQXEVSA-N 1 0 295.452 1.604 20 70 CDIDRO COC[C@@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159371836 482659642 /nfs/dbraw/zinc/65/96/42/482659642.db2.gz NIARUJJWHNLXIQ-AWEZNQCLSA-N 1 0 260.337 1.374 20 70 CDIDRO Cc1nc(C)c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000159548218 482707599 /nfs/dbraw/zinc/70/75/99/482707599.db2.gz XDRHETSQHNJXOR-NSHDSACASA-N 1 0 263.341 1.696 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000159790350 482750527 /nfs/dbraw/zinc/75/05/27/482750527.db2.gz XURBAKUPRWHWKC-CQSZACIVSA-N 1 0 286.416 1.404 20 70 CDIDRO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1N ZINC000160723272 482820496 /nfs/dbraw/zinc/82/04/96/482820496.db2.gz LKDPJCCVGURGFI-LBPRGKRZSA-N 1 0 261.369 1.791 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000160770338 482823811 /nfs/dbraw/zinc/82/38/11/482823811.db2.gz OGALLQPRPNICSS-RYUDHWBXSA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC000160777878 482826630 /nfs/dbraw/zinc/82/66/30/482826630.db2.gz HBJXJIOEHPKBBC-NWDGAFQWSA-N 1 0 286.335 1.736 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000160850359 482831896 /nfs/dbraw/zinc/83/18/96/482831896.db2.gz YTZIKDCSHVOCIP-UONOGXRCSA-N 1 0 299.374 1.457 20 70 CDIDRO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161363293 482874812 /nfs/dbraw/zinc/87/48/12/482874812.db2.gz WZDRNTGKPIEUEZ-VXGBXAGGSA-N 1 0 265.357 1.610 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000161338606 482875121 /nfs/dbraw/zinc/87/51/21/482875121.db2.gz MRLDBXWLNIBVKY-QWRGUYRKSA-N 1 0 268.307 1.893 20 70 CDIDRO CC(C)NC(=O)[C@@H](C)NCc1cn2ccccc2n1 ZINC000160920506 519713541 /nfs/dbraw/zinc/71/35/41/519713541.db2.gz WCXCVHGLRQFEMZ-LLVKDONJSA-N 1 0 260.341 1.337 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000160467430 520877224 /nfs/dbraw/zinc/87/72/24/520877224.db2.gz FENLYIITQHRWGC-RYUDHWBXSA-N 1 0 270.373 1.319 20 70 CDIDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778550 522866384 /nfs/dbraw/zinc/86/63/84/522866384.db2.gz NOPKNWOEAQCSLD-MGPQQGTHSA-N 1 0 262.353 1.760 20 70 CDIDRO CO[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000161099758 523989218 /nfs/dbraw/zinc/98/92/18/523989218.db2.gz NCKDPUCCTPKACK-QWRGUYRKSA-N 1 0 268.401 1.633 20 70 CDIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000159668363 526684284 /nfs/dbraw/zinc/68/42/84/526684284.db2.gz SKFZCXNBJMJMQQ-NWDGAFQWSA-N 1 0 270.417 1.929 20 70 CDIDRO O=C(C[C@@H]1CCCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160450258 527111345 /nfs/dbraw/zinc/11/13/45/527111345.db2.gz IJAQGEPQIYICDE-XQQFMLRXSA-N 1 0 252.358 1.299 20 70 CDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)C)cc2F)C1 ZINC000160129204 527743167 /nfs/dbraw/zinc/74/31/67/527743167.db2.gz FCWUETSYLUVPCY-LBPRGKRZSA-N 1 0 293.386 1.963 20 70 CDIDRO COC1(C(=O)N(C)CCC2CCOCC2)CC[NH2+]CC1 ZINC000160354699 536513491 /nfs/dbraw/zinc/51/34/91/536513491.db2.gz BRESRGYZYPWURG-UHFFFAOYSA-N 1 0 284.400 1.030 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000160509487 528945790 /nfs/dbraw/zinc/94/57/90/528945790.db2.gz KXTWWNMEQQAIIR-GFCCVEGCSA-N 1 0 283.416 1.267 20 70 CDIDRO C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000159647345 361760040 /nfs/dbraw/zinc/76/00/40/361760040.db2.gz PSRNWOXPVKAALU-HOCLYGCPSA-N 1 0 274.364 1.513 20 70 CDIDRO O=C(NCCc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000159667894 361766828 /nfs/dbraw/zinc/76/68/28/361766828.db2.gz BVQOBFKDQPLOAJ-UHFFFAOYSA-N 1 0 268.307 1.623 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159740078 361820608 /nfs/dbraw/zinc/82/06/08/361820608.db2.gz JTBRXRMKQVBHGR-CYBMUJFWSA-N 1 0 295.358 1.189 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCOC)CC1 ZINC000159792596 361852616 /nfs/dbraw/zinc/85/26/16/361852616.db2.gz LVSFYMHOUHHKPB-GFCCVEGCSA-N 1 0 257.378 1.149 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000161169016 361898605 /nfs/dbraw/zinc/89/86/05/361898605.db2.gz LGRVEHPQBYIKQF-CHWSQXEVSA-N 1 0 262.353 1.488 20 70 CDIDRO CSC1(CNC(=O)C[C@H]2CCC[NH2+]2)CCOCC1 ZINC000161214220 361921548 /nfs/dbraw/zinc/92/15/48/361921548.db2.gz VMYWVAIZZYGTCX-LLVKDONJSA-N 1 0 272.414 1.157 20 70 CDIDRO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160811542 539116781 /nfs/dbraw/zinc/11/67/81/539116781.db2.gz CUNQZKGACOAKTM-BBRMVZONSA-N 1 0 290.407 1.437 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000159543631 362274696 /nfs/dbraw/zinc/27/46/96/362274696.db2.gz JWTWRELNIWYJIX-UWVGGRQHSA-N 1 0 270.760 1.980 20 70 CDIDRO CC(C)[NH+](CCNC(=O)N[C@H]1CCOC1)C(C)C ZINC000159372939 362316017 /nfs/dbraw/zinc/31/60/17/362316017.db2.gz VROCVAWZBUOKHF-LBPRGKRZSA-N 1 0 257.378 1.193 20 70 CDIDRO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CC[C@@H]1O ZINC000159416629 362320481 /nfs/dbraw/zinc/32/04/81/362320481.db2.gz NSMILJJBEQVXMC-KBMXLJTQSA-N 1 0 279.380 1.267 20 70 CDIDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000159427962 362320891 /nfs/dbraw/zinc/32/08/91/362320891.db2.gz JXECIMDCWLOIKI-WFASDCNBSA-N 1 0 265.353 1.777 20 70 CDIDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]([NH3+])COC)c1 ZINC000159435592 362322493 /nfs/dbraw/zinc/32/24/93/362322493.db2.gz SNCKBQQYPOYKBX-ZDUSSCGKSA-N 1 0 293.367 1.081 20 70 CDIDRO CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159775739 362369437 /nfs/dbraw/zinc/36/94/37/362369437.db2.gz URRCGSOARKFCIQ-ZDUSSCGKSA-N 1 0 268.307 1.703 20 70 CDIDRO COc1cc(C[NH2+]CCOC(C)C)cc(OC)c1O ZINC000160035001 362387763 /nfs/dbraw/zinc/38/77/63/362387763.db2.gz FLXLEGSXCMNVDI-UHFFFAOYSA-N 1 0 269.341 1.924 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000161354491 529990386 /nfs/dbraw/zinc/99/03/86/529990386.db2.gz XURRHQXDWRFESK-HNNXBMFYSA-N 1 0 284.363 1.696 20 70 CDIDRO CC1(O)CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000161210145 362642994 /nfs/dbraw/zinc/64/29/94/362642994.db2.gz DBZUKAVAKXPVPI-UHFFFAOYSA-N 1 0 288.391 1.418 20 70 CDIDRO Cc1cccn2c(=O)cc(C[NH+]3CCC(C)(O)CC3)nc12 ZINC000161231038 362795884 /nfs/dbraw/zinc/79/58/84/362795884.db2.gz DYLIIANGYUMIHE-UHFFFAOYSA-N 1 0 287.363 1.350 20 70 CDIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@H]1CCC[NH2+]C1 ZINC000161074289 188506403 /nfs/dbraw/zinc/50/64/03/188506403.db2.gz ZBRHDIFQFVSPSJ-NSHDSACASA-N 1 0 288.326 1.950 20 70 CDIDRO C[C@H](CNC(=O)c1cccc(=O)n1C)[NH+]1CCC(C)CC1 ZINC000161381234 188524564 /nfs/dbraw/zinc/52/45/64/188524564.db2.gz FMIDOBRRJFAWTF-CYBMUJFWSA-N 1 0 291.395 1.236 20 70 CDIDRO CC(C)(CNC(=O)N1CCC[C@@](C)(O)C1)[NH+]1CCCCC1 ZINC000159844023 363376090 /nfs/dbraw/zinc/37/60/90/363376090.db2.gz ABCBUNPHUPSSJA-MRXNPFEDSA-N 1 0 297.443 1.807 20 70 CDIDRO CC(C)OCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000160214704 482788711 /nfs/dbraw/zinc/78/87/11/482788711.db2.gz UKVWUEDQHGBABV-OAHLLOKOSA-N 1 0 267.369 1.579 20 70 CDIDRO CCn1nc(C)c(C(=O)NCC(C)(C)[NH3+])c1Cl ZINC000160122212 237163775 /nfs/dbraw/zinc/16/37/75/237163775.db2.gz UMXPDOUPXDMQBA-UHFFFAOYSA-N 1 0 258.753 1.332 20 70 CDIDRO COC(=O)C(C)(C)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000160809161 361074158 /nfs/dbraw/zinc/07/41/58/361074158.db2.gz DGPNJXBPDCNUKL-ZDUSSCGKSA-N 1 0 290.363 1.016 20 70 CDIDRO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000160828460 361254719 /nfs/dbraw/zinc/25/47/19/361254719.db2.gz WXPNMEMHGAEGDC-KGLIPLIRSA-N 1 0 295.427 1.093 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCCCCCOC1CCCCC1 ZINC000159533505 361732396 /nfs/dbraw/zinc/73/23/96/361732396.db2.gz CTVSGUIPNALEKA-LBPRGKRZSA-N 1 0 256.390 1.969 20 70 CDIDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)o1 ZINC000159561353 364234484 /nfs/dbraw/zinc/23/44/84/364234484.db2.gz OZNMGRZGWKGCFR-JQWIXIFHSA-N 1 0 267.325 1.659 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159646829 364246132 /nfs/dbraw/zinc/24/61/32/364246132.db2.gz YASLLQOBYGPUHH-DZGCQCFKSA-N 1 0 262.353 1.498 20 70 CDIDRO [NH3+]C1(CNC(=O)c2ccc3nncn3c2)CCCCC1 ZINC000159719195 364255510 /nfs/dbraw/zinc/25/55/10/364255510.db2.gz UIBJZTPKAKSLJB-UHFFFAOYSA-N 1 0 273.340 1.121 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccccc1C ZINC000159844786 364272943 /nfs/dbraw/zinc/27/29/43/364272943.db2.gz KYWDUUHNUWTFDP-STQMWFEESA-N 1 0 282.409 1.225 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCn1cccc1 ZINC000159515442 364225534 /nfs/dbraw/zinc/22/55/34/364225534.db2.gz JQBIIWVWCTWWSZ-UHFFFAOYSA-N 1 0 266.389 1.470 20 70 CDIDRO Cc1nc(CC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000159913821 364280708 /nfs/dbraw/zinc/28/07/08/364280708.db2.gz FNWYBJLXOYWZKT-LBPRGKRZSA-N 1 0 281.425 1.855 20 70 CDIDRO COc1cc(F)c([C@H](C)NC(=O)[C@@H](C)[NH3+])cc1OC ZINC000159962849 364287972 /nfs/dbraw/zinc/28/79/72/364287972.db2.gz CEMLASOCGWZGNT-SFYZADRCSA-N 1 0 270.304 1.367 20 70 CDIDRO [NH3+]CCCNC(=O)CCCc1nc(-c2cccs2)no1 ZINC000160165893 364313872 /nfs/dbraw/zinc/31/38/72/364313872.db2.gz NDNZWWFFTLKIDQ-UHFFFAOYSA-N 1 0 294.380 1.586 20 70 CDIDRO COc1ccc2c(c1)C[N@H+](CC(OC)OC)CC2 ZINC000160691056 364395359 /nfs/dbraw/zinc/39/53/59/364395359.db2.gz YDCWKQIPSVBAAZ-UHFFFAOYSA-N 1 0 251.326 1.672 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000160990423 364436353 /nfs/dbraw/zinc/43/63/53/364436353.db2.gz LTPHFGROTDCSJP-NSHDSACASA-N 1 0 252.362 1.639 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000160850930 364419499 /nfs/dbraw/zinc/41/94/99/364419499.db2.gz QOPJJTDDDIVCDT-DGCLKSJQSA-N 1 0 250.342 1.082 20 70 CDIDRO C[NH2+]CC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160932552 364430161 /nfs/dbraw/zinc/43/01/61/364430161.db2.gz PQOKQFQFFJNXTO-NSHDSACASA-N 1 0 295.770 1.171 20 70 CDIDRO C[C@]1(C(=O)NCc2ccc(Cl)nc2)CCC[NH2+]C1 ZINC000161330083 364479002 /nfs/dbraw/zinc/47/90/02/364479002.db2.gz AJIQTAQTGAUMQL-ZDUSSCGKSA-N 1 0 267.760 1.741 20 70 CDIDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181980 364460616 /nfs/dbraw/zinc/46/06/16/364460616.db2.gz DXWXLQZQXXNTMS-DZKIICNBSA-N 1 0 289.423 1.764 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000161037915 365241505 /nfs/dbraw/zinc/24/15/05/365241505.db2.gz JUVNFOCDDFBVST-GDLCADMTSA-N 1 0 278.352 1.655 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000161205647 367604028 /nfs/dbraw/zinc/60/40/28/367604028.db2.gz IISQCHPPRLDDCP-VXGBXAGGSA-N 1 0 256.390 1.825 20 70 CDIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000161499874 375643351 /nfs/dbraw/zinc/64/33/51/375643351.db2.gz SOANYCCVZGRRFJ-KBPBESRZSA-N 1 0 290.388 1.468 20 70 CDIDRO Cc1noc([C@@H]2COCCN2CC[C@@H]2CCC[N@H+]2C)n1 ZINC000160888029 376375737 /nfs/dbraw/zinc/37/57/37/376375737.db2.gz ZJHCJXGXAAQFKP-STQMWFEESA-N 1 0 280.372 1.236 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])C(=O)c1cccc(F)c1 ZINC000160185706 377031791 /nfs/dbraw/zinc/03/17/91/377031791.db2.gz CDXWKRLYDBOGKT-FZMZJTMJSA-N 1 0 292.354 1.984 20 70 CDIDRO O=C(NC1(c2cccc(Cl)c2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000160522879 377084293 /nfs/dbraw/zinc/08/42/93/377084293.db2.gz AOHJWFVQLHFBMN-LBPRGKRZSA-N 1 0 280.755 1.434 20 70 CDIDRO COCC[NH2+]CC(=O)NCCc1cc(C)cc(C)c1 ZINC000160592615 377089704 /nfs/dbraw/zinc/08/97/04/377089704.db2.gz ZEIUFWQLBGBMBP-UHFFFAOYSA-N 1 0 264.369 1.198 20 70 CDIDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)sc1C ZINC000160674022 377099489 /nfs/dbraw/zinc/09/94/89/377099489.db2.gz DCLNGONRTCYDPE-UHFFFAOYSA-N 1 0 296.436 1.799 20 70 CDIDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000161473514 377661192 /nfs/dbraw/zinc/66/11/92/377661192.db2.gz MOFYRLJVFUOGJV-LBPRGKRZSA-N 1 0 286.416 1.946 20 70 CDIDRO CCC[C@@H](NC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000161499937 377694645 /nfs/dbraw/zinc/69/46/45/377694645.db2.gz RLBQFQBAXDFDRN-CHWSQXEVSA-N 1 0 298.431 1.204 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccccc2C)[C@@H](C[NH3+])C1 ZINC000161086340 390944965 /nfs/dbraw/zinc/94/49/65/390944965.db2.gz XIJQOFGMBLAHOG-OLZOCXBDSA-N 1 0 262.353 1.573 20 70 CDIDRO Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)c1 ZINC000160207291 391502461 /nfs/dbraw/zinc/50/24/61/391502461.db2.gz IAIYNQUKOZNLRS-OAHLLOKOSA-N 1 0 284.363 1.744 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159991193 392494707 /nfs/dbraw/zinc/49/47/07/392494707.db2.gz DSWMXIZJICHTCM-ZETCQYMHSA-N 1 0 269.142 1.685 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000161137986 277291373 /nfs/dbraw/zinc/29/13/73/277291373.db2.gz DEXCYUDPVPZONC-GHMZBOCLSA-N 1 0 283.759 1.313 20 70 CDIDRO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)O1 ZINC000159559803 292761568 /nfs/dbraw/zinc/76/15/68/292761568.db2.gz FWNBIHRQTWTUGR-DOMZBBRYSA-N 1 0 276.380 1.932 20 70 CDIDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747762 292768337 /nfs/dbraw/zinc/76/83/37/292768337.db2.gz QAKMIYBPKRHCHK-FZMZJTMJSA-N 1 0 277.368 1.403 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000159423694 290079392 /nfs/dbraw/zinc/07/93/92/290079392.db2.gz PUHZEVAGWSFYRN-QWRGUYRKSA-N 1 0 279.340 1.036 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000161158019 295376438 /nfs/dbraw/zinc/37/64/38/295376438.db2.gz LHDNYYRWOMIPCS-CHWSQXEVSA-N 1 0 292.379 1.721 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000161031467 482473411 /nfs/dbraw/zinc/47/34/11/482473411.db2.gz DUAIQOCHLLUCCK-QWRGUYRKSA-N 1 0 264.373 1.543 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000160884430 482836232 /nfs/dbraw/zinc/83/62/32/482836232.db2.gz RJIIBMYHIMXHHI-NEPJUHHUSA-N 1 0 268.307 1.893 20 70 CDIDRO CCCn1nc(C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161002304 482851309 /nfs/dbraw/zinc/85/13/09/482851309.db2.gz USDFWZAPUFFYKM-STQMWFEESA-N 1 0 278.400 1.910 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000161102438 482861438 /nfs/dbraw/zinc/86/14/38/482861438.db2.gz ULTJYLCEOYSABV-NXEZZACHSA-N 1 0 292.408 1.943 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000161102312 482861613 /nfs/dbraw/zinc/86/16/13/482861613.db2.gz ULTJYLCEOYSABV-UWVGGRQHSA-N 1 0 292.408 1.943 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000161159599 482866571 /nfs/dbraw/zinc/86/65/71/482866571.db2.gz DOKSECXFSCQEHI-NEPJUHHUSA-N 1 0 254.280 1.965 20 70 CDIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1C(C)(C)C ZINC000161286699 482872343 /nfs/dbraw/zinc/87/23/43/482872343.db2.gz ICDWTNZBIRGIGO-RYUDHWBXSA-N 1 0 278.400 1.946 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161336836 482874465 /nfs/dbraw/zinc/87/44/65/482874465.db2.gz PJYAURLHOCVJAF-QWRGUYRKSA-N 1 0 258.325 1.563 20 70 CDIDRO CCOc1ccc(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161386719 482876584 /nfs/dbraw/zinc/87/65/84/482876584.db2.gz PTKVPYMSOVLBCW-OLZOCXBDSA-N 1 0 292.379 1.850 20 70 CDIDRO Cc1ccc(-n2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)nn2)cc1 ZINC000161503528 482881113 /nfs/dbraw/zinc/88/11/13/482881113.db2.gz FQRJZWLMSVPKKZ-QWHCGFSZSA-N 1 0 299.378 1.575 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161509502 482882036 /nfs/dbraw/zinc/88/20/36/482882036.db2.gz MEYJSZAZVUFPIJ-VHSXEESVSA-N 1 0 262.309 1.415 20 70 CDIDRO O=C(COC[C@@H]1CCOC1)NCC[NH2+]C1CCCCCC1 ZINC000159730152 534618498 /nfs/dbraw/zinc/61/84/98/534618498.db2.gz SJMRFXBQGZBPAX-CQSZACIVSA-N 1 0 298.427 1.468 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000160785152 522391003 /nfs/dbraw/zinc/39/10/03/522391003.db2.gz CJDBPTGLUKZTRL-CYBMUJFWSA-N 1 0 292.766 1.936 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000160717196 522504461 /nfs/dbraw/zinc/50/44/61/522504461.db2.gz POQIGHZGLJXSOR-ZDUSSCGKSA-N 1 0 291.370 1.860 20 70 CDIDRO CC1(C)C(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000160138881 528870684 /nfs/dbraw/zinc/87/06/84/528870684.db2.gz CDQKMXUMFKNTBK-GFCCVEGCSA-N 1 0 282.428 1.632 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCOCC1 ZINC000159702572 528896676 /nfs/dbraw/zinc/89/66/76/528896676.db2.gz BJRCFMSWNQYBTB-ZDUSSCGKSA-N 1 0 285.432 1.783 20 70 CDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](COC)C1CC1 ZINC000160328815 529105162 /nfs/dbraw/zinc/10/51/62/529105162.db2.gz CEHCQRILZNSAGQ-STQMWFEESA-N 1 0 269.389 1.195 20 70 CDIDRO c1cn(CCN2CCC[C@H]2C[NH+]2CCCCC2)cn1 ZINC000159802830 361863873 /nfs/dbraw/zinc/86/38/73/361863873.db2.gz HUMQYEVPURETCD-HNNXBMFYSA-N 1 0 262.401 1.833 20 70 CDIDRO CC(=O)Nc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1C ZINC000160225957 362069673 /nfs/dbraw/zinc/06/96/73/362069673.db2.gz YTDAPOFJLMILSU-GFCCVEGCSA-N 1 0 261.325 1.127 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000161087307 362042965 /nfs/dbraw/zinc/04/29/65/362042965.db2.gz ZSIJFWLIWBLOGV-QMMMGPOBSA-N 1 0 253.327 1.284 20 70 CDIDRO COc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1C ZINC000159799334 362372130 /nfs/dbraw/zinc/37/21/30/362372130.db2.gz QLIQMNRNRGKIPC-CYBMUJFWSA-N 1 0 262.353 1.813 20 70 CDIDRO CCN(CCO)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160950746 362565676 /nfs/dbraw/zinc/56/56/76/362565676.db2.gz RIFZHEWIFXCOIP-CQSZACIVSA-N 1 0 285.432 1.521 20 70 CDIDRO O=C(CC[NH2+]Cc1cccc2cc[nH]c21)N1CCOCC1 ZINC000218150673 366015123 /nfs/dbraw/zinc/01/51/23/366015123.db2.gz FITIWAKQYMOOTH-UHFFFAOYSA-N 1 0 287.363 1.506 20 70 CDIDRO [NH3+]CCCNC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000160111166 188455850 /nfs/dbraw/zinc/45/58/50/188455850.db2.gz GKZFBYCWGXLSKN-UHFFFAOYSA-N 1 0 296.798 1.853 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)C1CC[NH2+]CC1 ZINC000160413410 188470683 /nfs/dbraw/zinc/47/06/83/188470683.db2.gz PRAZKZWGCIWAAS-UHFFFAOYSA-N 1 0 273.336 1.509 20 70 CDIDRO CC(C)(CNC(=O)CCC[NH3+])c1cccc(F)c1 ZINC000161198351 188514592 /nfs/dbraw/zinc/51/45/92/188514592.db2.gz BIEQMGBUIOMNSQ-UHFFFAOYSA-N 1 0 252.333 1.958 20 70 CDIDRO CC[C@H](COC)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161214152 188515471 /nfs/dbraw/zinc/51/54/71/188515471.db2.gz NDYSHUYKXUGNHU-GXTWGEPZSA-N 1 0 264.369 1.706 20 70 CDIDRO COCCC1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000159745885 363270905 /nfs/dbraw/zinc/27/09/05/363270905.db2.gz XIZRQSAVLAZKQI-GFCCVEGCSA-N 1 0 286.441 1.357 20 70 CDIDRO C[C@H](CNC(=O)NCc1ncccc1F)[N@H+](C)C1CC1 ZINC000159866137 363385238 /nfs/dbraw/zinc/38/52/38/363385238.db2.gz HBNBSATZSGLBTL-SNVBAGLBSA-N 1 0 280.347 1.503 20 70 CDIDRO C[C@@H](O)C[C@@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000217323382 356370796 /nfs/dbraw/zinc/37/07/96/356370796.db2.gz GNLXXCBNZHIUKZ-OLZOCXBDSA-N 1 0 278.400 1.740 20 70 CDIDRO O=C(NCCC1CCCCC1)NCCN1CC[NH2+]CC1 ZINC000217305120 538473924 /nfs/dbraw/zinc/47/39/24/538473924.db2.gz RBPFIGWHGWVDOK-UHFFFAOYSA-N 1 0 282.432 1.161 20 70 CDIDRO CC(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160762159 358771178 /nfs/dbraw/zinc/77/11/78/358771178.db2.gz JUCFKZCWVHMPGX-UKRRQHHQSA-N 1 0 298.427 1.153 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000160554368 358738821 /nfs/dbraw/zinc/73/88/21/358738821.db2.gz PYTFGXDEPQTFMV-OLZOCXBDSA-N 1 0 284.400 1.709 20 70 CDIDRO CCCC[C@H](COC)NC(=O)[C@H]([NH3+])CCSC ZINC000161167253 358789591 /nfs/dbraw/zinc/78/95/91/358789591.db2.gz ZFWKQBPCVXNBQY-GHMZBOCLSA-N 1 0 262.419 1.388 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000159430656 361697012 /nfs/dbraw/zinc/69/70/12/361697012.db2.gz VBRDXWOSGFIGNG-IUODEOHRSA-N 1 0 294.370 1.971 20 70 CDIDRO NC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626563 364243213 /nfs/dbraw/zinc/24/32/13/364243213.db2.gz CPCRYUINIJIZDV-KFWWJZLASA-N 1 0 286.375 1.833 20 70 CDIDRO COC(=O)c1ccc(NC(=O)[C@H](C)[NH3+])c(OC(F)F)c1 ZINC000159753305 364260771 /nfs/dbraw/zinc/26/07/71/364260771.db2.gz QZEIOAMVHFTCIR-LURJTMIESA-N 1 0 288.250 1.360 20 70 CDIDRO C[N@@H+](Cc1cn2cccnc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159848724 364273004 /nfs/dbraw/zinc/27/30/04/364273004.db2.gz PRPUWWALRMNWMX-AAEUAGOBSA-N 1 0 260.341 1.322 20 70 CDIDRO Cc1ccc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160283920 364329114 /nfs/dbraw/zinc/32/91/14/364329114.db2.gz RAPIDENVBMHIBY-OAHLLOKOSA-N 1 0 290.407 1.880 20 70 CDIDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000160022950 364295826 /nfs/dbraw/zinc/29/58/26/364295826.db2.gz IGVQEVPKXSPMIW-GFCCVEGCSA-N 1 0 275.352 1.131 20 70 CDIDRO C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2F)CC1 ZINC000160073106 364302034 /nfs/dbraw/zinc/30/20/34/364302034.db2.gz RHGHRNFKBZTXAJ-UHFFFAOYSA-N 1 0 271.723 1.652 20 70 CDIDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2F)C1 ZINC000160110429 364307700 /nfs/dbraw/zinc/30/77/00/364307700.db2.gz GPWSOSVUSZSXPG-NSHDSACASA-N 1 0 282.334 1.965 20 70 CDIDRO O=C(NCC1(c2cccc(Cl)c2)CC1)[C@H]1C[NH2+]CCO1 ZINC000160547936 364371956 /nfs/dbraw/zinc/37/19/56/364371956.db2.gz JVGQTPXJCGVSBF-CYBMUJFWSA-N 1 0 294.782 1.476 20 70 CDIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(=O)n1C ZINC000160645493 364388542 /nfs/dbraw/zinc/38/85/42/364388542.db2.gz WEPLSSGABTXBOF-CYBMUJFWSA-N 1 0 293.411 1.626 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000160672303 364392834 /nfs/dbraw/zinc/39/28/34/364392834.db2.gz AHJRYWZYSMXZIA-CQSZACIVSA-N 1 0 280.343 1.402 20 70 CDIDRO C[NH+](C)CCCNC(=O)c1ccnc(Cl)c1F ZINC000160751393 364405689 /nfs/dbraw/zinc/40/56/89/364405689.db2.gz KUCUXYYYWJEPPB-UHFFFAOYSA-N 1 0 259.712 1.556 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000161042075 364440759 /nfs/dbraw/zinc/44/07/59/364440759.db2.gz CSHJEDKEYZSYPP-NSHDSACASA-N 1 0 292.379 1.931 20 70 CDIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)[NH3+] ZINC000160832011 364415800 /nfs/dbraw/zinc/41/58/00/364415800.db2.gz TUVZNLOISCRUEA-BXUZGUMPSA-N 1 0 282.359 1.691 20 70 CDIDRO C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH+]1CCC(C)CC1 ZINC000161381126 364486339 /nfs/dbraw/zinc/48/63/39/364486339.db2.gz FMIDOBRRJFAWTF-ZDUSSCGKSA-N 1 0 291.395 1.236 20 70 CDIDRO COc1ccccc1[C@H](O)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161424688 364490433 /nfs/dbraw/zinc/49/04/33/364490433.db2.gz YDOJJXBBDGMADG-CZUORRHYSA-N 1 0 292.379 1.235 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000161203552 364462075 /nfs/dbraw/zinc/46/20/75/364462075.db2.gz AQWQYLDMGBHBMH-GPANFISMSA-N 1 0 294.370 1.896 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000161217376 283858800 /nfs/dbraw/zinc/85/88/00/283858800.db2.gz VGUHIRFAFDVMSW-MELADBBJSA-N 1 0 276.384 1.625 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)[C@@H]([NH3+])CCSC ZINC000161167375 367429722 /nfs/dbraw/zinc/42/97/22/367429722.db2.gz ZFWKQBPCVXNBQY-QWRGUYRKSA-N 1 0 262.419 1.388 20 70 CDIDRO CCCNC(=O)[C@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161204395 367603229 /nfs/dbraw/zinc/60/32/29/367603229.db2.gz KKSSFWHDIBKGMW-ZDUSSCGKSA-N 1 0 297.443 1.516 20 70 CDIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCCNC2=O)C[C@@H]1OC ZINC000160117085 375737656 /nfs/dbraw/zinc/73/76/56/375737656.db2.gz HSNSSLQPBXGUCQ-UPJWGTAASA-N 1 0 268.401 1.838 20 70 CDIDRO CSC[C@](C)(O)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000217849807 375747851 /nfs/dbraw/zinc/74/78/51/375747851.db2.gz RNCBMIFVVTUVDV-CQSZACIVSA-N 1 0 279.409 1.777 20 70 CDIDRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)[nH]1 ZINC000160546516 377085012 /nfs/dbraw/zinc/08/50/12/377085012.db2.gz BPWQOCULIOPVIP-NSHDSACASA-N 1 0 279.384 1.764 20 70 CDIDRO COC(=O)C(C)(C)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161201754 377196222 /nfs/dbraw/zinc/19/62/22/377196222.db2.gz JVZITLRKVQPDFV-UHFFFAOYSA-N 1 0 270.373 1.223 20 70 CDIDRO CCCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159410965 390939884 /nfs/dbraw/zinc/93/98/84/390939884.db2.gz GCBXQDFZWJEEGV-AWEZNQCLSA-N 1 0 267.417 1.591 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161095549 390959556 /nfs/dbraw/zinc/95/95/56/390959556.db2.gz JFNJVOBFRSCYKY-ZDMBXUJBSA-N 1 0 250.317 1.913 20 70 CDIDRO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccc(F)c1 ZINC000161487114 391232341 /nfs/dbraw/zinc/23/23/41/391232341.db2.gz CMZNCRCQBXRLQS-UGFHNGPFSA-N 1 0 292.354 1.724 20 70 CDIDRO COCC[N@@H+](Cc1ccccc1)CC(OC)OC ZINC000160458501 392504958 /nfs/dbraw/zinc/50/49/58/392504958.db2.gz HIBDOGAIXZNJEL-UHFFFAOYSA-N 1 0 253.342 1.754 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)[C@@H](C[NH3+])C1 ZINC000161131016 285706788 /nfs/dbraw/zinc/70/67/88/285706788.db2.gz IFULVFUIJJAQCT-VXGBXAGGSA-N 1 0 282.409 1.943 20 70 CDIDRO COCCC1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000160988514 270241823 /nfs/dbraw/zinc/24/18/23/270241823.db2.gz JFUZKTZZYSRVSL-UHFFFAOYSA-N 1 0 297.443 1.975 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000160385550 276005268 /nfs/dbraw/zinc/00/52/68/276005268.db2.gz PJYDDYAKHHDLOC-UHFFFAOYSA-N 1 0 254.374 1.357 20 70 CDIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160521769 279071434 /nfs/dbraw/zinc/07/14/34/279071434.db2.gz BBSJFQIJDBMPTK-YPMHNXCESA-N 1 0 293.415 1.138 20 70 CDIDRO O=C(/C=C\c1ccc2c(c1)OCO2)NC[C@@H]1CCC[NH2+]C1 ZINC000217463528 280088827 /nfs/dbraw/zinc/08/88/27/280088827.db2.gz FDXUGFCRZOCBEC-RYWCDNDXSA-N 1 0 288.347 1.544 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159731854 292767600 /nfs/dbraw/zinc/76/76/00/292767600.db2.gz JLFGPIBDBMOSDG-UHFFFAOYSA-N 1 0 295.427 1.587 20 70 CDIDRO CC(C)(C)CC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000159748737 292768290 /nfs/dbraw/zinc/76/82/90/292768290.db2.gz YVDGRPKJNLVOTA-GFCCVEGCSA-N 1 0 256.390 1.683 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000160216991 482790125 /nfs/dbraw/zinc/79/01/25/482790125.db2.gz PPNGEBNIXIYSAJ-QMMMGPOBSA-N 1 0 277.324 1.704 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160783721 482825403 /nfs/dbraw/zinc/82/54/03/482825403.db2.gz ZDSYEEAAWIMQAB-MNOVXSKESA-N 1 0 279.384 1.728 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000160847540 482832583 /nfs/dbraw/zinc/83/25/83/482832583.db2.gz JTPNKKOERKUMBC-OLZOCXBDSA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000161260975 482871425 /nfs/dbraw/zinc/87/14/25/482871425.db2.gz NQGRARVNJDUQKJ-QWHCGFSZSA-N 1 0 272.352 1.422 20 70 CDIDRO COCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160561718 521916898 /nfs/dbraw/zinc/91/68/98/521916898.db2.gz JFXAQYGKKQCBAC-NSHDSACASA-N 1 0 289.372 1.614 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3ccccc3C)CC2)C1 ZINC000160503309 522500757 /nfs/dbraw/zinc/50/07/57/522500757.db2.gz LUHNRGFIPUKDPJ-ZDUSSCGKSA-N 1 0 258.365 1.847 20 70 CDIDRO COC1(C(=O)NC[C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000160737016 522550382 /nfs/dbraw/zinc/55/03/82/522550382.db2.gz CSDFPHGVTWPTFE-CQSZACIVSA-N 1 0 290.407 1.983 20 70 CDIDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159615093 361753282 /nfs/dbraw/zinc/75/32/82/361753282.db2.gz MXWACECRCPWJSH-CYBMUJFWSA-N 1 0 286.379 1.812 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159889870 342072825 /nfs/dbraw/zinc/07/28/25/342072825.db2.gz ZRNWRHOPYUQRSC-STQMWFEESA-N 1 0 260.337 1.358 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)CC2 ZINC000160506657 282117498 /nfs/dbraw/zinc/11/74/98/282117498.db2.gz UFUHEMPSMRSQKJ-ZANVPECISA-N 1 0 275.331 1.786 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159734135 361819678 /nfs/dbraw/zinc/81/96/78/361819678.db2.gz YGDRHJLVVYCDIW-GXTWGEPZSA-N 1 0 278.421 1.913 20 70 CDIDRO C[C@@H](O)C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159808222 361870959 /nfs/dbraw/zinc/87/09/59/361870959.db2.gz OESHNXQBYJIKEY-GFCCVEGCSA-N 1 0 270.417 1.584 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccccc1OC ZINC000161185393 361915390 /nfs/dbraw/zinc/91/53/90/361915390.db2.gz SXPHMEYCPOQBFW-AWEZNQCLSA-N 1 0 276.380 1.838 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCN1CCCC1=O ZINC000160406799 539115852 /nfs/dbraw/zinc/11/58/52/539115852.db2.gz IGAOHGGGTRJCSX-CQSZACIVSA-N 1 0 295.427 1.236 20 70 CDIDRO CO[C@H](CNC(=O)C[NH+](C)C)c1ccccc1Cl ZINC000160543630 539116110 /nfs/dbraw/zinc/11/61/10/539116110.db2.gz LFODSCJSUXBAEE-GFCCVEGCSA-N 1 0 270.760 1.705 20 70 CDIDRO COC1(C[NH2+]Cc2ccccc2NC(C)=O)CCOCC1 ZINC000160652460 539116183 /nfs/dbraw/zinc/11/61/83/539116183.db2.gz RWVNGSNRGFFARZ-UHFFFAOYSA-N 1 0 292.379 1.930 20 70 CDIDRO CCNC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160179503 362045673 /nfs/dbraw/zinc/04/56/73/362045673.db2.gz FLTRKWUBBKLDMA-BBRMVZONSA-N 1 0 289.423 1.866 20 70 CDIDRO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CNCCO1 ZINC000216737594 342439418 /nfs/dbraw/zinc/43/94/18/342439418.db2.gz KGMCYQLHWDCBNQ-BPHCLYMKSA-N 1 0 250.386 1.389 20 70 CDIDRO COCCC1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159550050 362273913 /nfs/dbraw/zinc/27/39/13/362273913.db2.gz OQVDHGHHKPYNDK-GFCCVEGCSA-N 1 0 266.385 1.404 20 70 CDIDRO CCOc1cc2c(cc1NC(=O)[C@H]([NH3+])COC)O[C@H](C)C2 ZINC000159424258 362320790 /nfs/dbraw/zinc/32/07/90/362320790.db2.gz QVHZLNPYSRKMBE-MWLCHTKSSA-N 1 0 294.351 1.321 20 70 CDIDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159871336 362377022 /nfs/dbraw/zinc/37/70/22/362377022.db2.gz LJJJTBCKZIWBJB-JTQLQIEISA-N 1 0 295.349 1.375 20 70 CDIDRO C[NH+]1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159707702 362502956 /nfs/dbraw/zinc/50/29/56/362502956.db2.gz HQVSNKOPTZUIRE-UHFFFAOYSA-N 1 0 291.370 1.988 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CCc2ccco2)[C@H](C[NH3+])C1 ZINC000161076934 362559923 /nfs/dbraw/zinc/55/99/23/362559923.db2.gz ZQJYTPAJIYKFHW-WCQYABFASA-N 1 0 266.341 1.177 20 70 CDIDRO COc1cccc(CCNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000161345453 362789571 /nfs/dbraw/zinc/78/95/71/362789571.db2.gz KEPFUWBCFAOSHA-INIZCTEOSA-N 1 0 276.380 1.744 20 70 CDIDRO COc1ccc(SCCC(=O)NCCC[NH3+])cc1OC ZINC000160109294 188456169 /nfs/dbraw/zinc/45/61/69/188456169.db2.gz ADLYZXHUEAWSKW-UHFFFAOYSA-N 1 0 298.408 1.651 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@@H](COCCOC)C1 ZINC000159738707 363248709 /nfs/dbraw/zinc/24/87/09/363248709.db2.gz YXFAEYRODCVUFO-CQSZACIVSA-N 1 0 296.415 1.481 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1F ZINC000161179119 188512838 /nfs/dbraw/zinc/51/28/38/188512838.db2.gz FBGVDPLIVYBHEJ-GFCCVEGCSA-N 1 0 293.342 1.608 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NCCCOC1CCOCC1 ZINC000160939660 356685364 /nfs/dbraw/zinc/68/53/64/356685364.db2.gz UUMQJVBNNOYCNB-ZDUSSCGKSA-N 1 0 272.389 1.062 20 70 CDIDRO CNC(=O)[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161420523 283388012 /nfs/dbraw/zinc/38/80/12/283388012.db2.gz MWXWGAAGIKFVEU-AWEZNQCLSA-N 1 0 267.417 1.463 20 70 CDIDRO CC[C@@H](C)OCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160133814 363682779 /nfs/dbraw/zinc/68/27/79/363682779.db2.gz IBFBWQSLSZWHKC-VXGBXAGGSA-N 1 0 254.374 1.402 20 70 CDIDRO CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000160963358 360215226 /nfs/dbraw/zinc/21/52/26/360215226.db2.gz RHXYTYXBTDIOFG-LSDHHAIUSA-N 1 0 292.379 1.375 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000159499841 361721612 /nfs/dbraw/zinc/72/16/12/361721612.db2.gz WDTHVGVPHWWPHG-STQMWFEESA-N 1 0 268.401 1.694 20 70 CDIDRO Cc1cnn(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160458279 363878912 /nfs/dbraw/zinc/87/89/12/363878912.db2.gz MMDNSSIFNZWUTJ-OAHLLOKOSA-N 1 0 292.427 1.818 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159467001 364211954 /nfs/dbraw/zinc/21/19/54/364211954.db2.gz YJMRLOIWXUGQLC-UHFFFAOYSA-N 1 0 272.352 1.731 20 70 CDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000159714135 364255925 /nfs/dbraw/zinc/25/59/25/364255925.db2.gz AJVKBRPDFLZRCB-GXFFZTMASA-N 1 0 294.399 1.788 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000159798212 364266540 /nfs/dbraw/zinc/26/65/40/364266540.db2.gz RTURMUDLMGLKOG-NXEZZACHSA-N 1 0 253.371 1.457 20 70 CDIDRO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159820637 364270221 /nfs/dbraw/zinc/27/02/21/364270221.db2.gz DFTYISYAJRSNHG-AWEZNQCLSA-N 1 0 288.351 1.257 20 70 CDIDRO Cn1c(Cl)cnc1Cn1nc(C(C)(C)C)ccc1=O ZINC000160385513 364344088 /nfs/dbraw/zinc/34/40/88/364344088.db2.gz IOFFVJVSQADCEI-UHFFFAOYSA-N 1 0 280.759 1.976 20 70 CDIDRO CCCCOC(=O)[C@H](C)N(CC)Cc1cnn(C)c1 ZINC000160097197 364305747 /nfs/dbraw/zinc/30/57/47/364305747.db2.gz JQSNUUFFFCSUHG-LBPRGKRZSA-N 1 0 267.373 1.974 20 70 CDIDRO Cc1ccc(SCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160179687 364316256 /nfs/dbraw/zinc/31/62/56/364316256.db2.gz HDFGSXRDKPFFRJ-LLVKDONJSA-N 1 0 250.367 1.647 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000160201194 364318436 /nfs/dbraw/zinc/31/84/36/364318436.db2.gz VJUQLVJXIITTEF-AWEZNQCLSA-N 1 0 270.336 1.436 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CC[C@@H]([NH2+]C)C3)cc12 ZINC000160488159 364361817 /nfs/dbraw/zinc/36/18/17/364361817.db2.gz SDSHDNMELRWLCR-SNVBAGLBSA-N 1 0 274.324 1.219 20 70 CDIDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(C)n1 ZINC000160552415 364373003 /nfs/dbraw/zinc/37/30/03/364373003.db2.gz YWRQDSZIDJWSJW-SSDOTTSWSA-N 1 0 290.289 1.423 20 70 CDIDRO Cc1cc(Cl)ccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000160393206 364345150 /nfs/dbraw/zinc/34/51/50/364345150.db2.gz LKLHOXPMJCYYIP-UHFFFAOYSA-N 1 0 295.814 1.626 20 70 CDIDRO CCn1cc([C@H](C)[NH2+][C@@H](CCO)CSC)cn1 ZINC000160294477 364629714 /nfs/dbraw/zinc/62/97/14/364629714.db2.gz SFKKFWFFCVODSJ-JQWIXIFHSA-N 1 0 257.403 1.668 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC000161117331 367130636 /nfs/dbraw/zinc/13/06/36/367130636.db2.gz YZXLGMQSQPYENF-GFCCVEGCSA-N 1 0 297.443 1.385 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)cc1C ZINC000161386440 373513910 /nfs/dbraw/zinc/51/39/10/373513910.db2.gz MBORVINLLBRTIM-AWEZNQCLSA-N 1 0 299.378 1.400 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSCc2ccccn2)C1 ZINC000161424517 373705141 /nfs/dbraw/zinc/70/51/41/373705141.db2.gz LGNLRKMERMQSNL-NWDGAFQWSA-N 1 0 279.409 1.701 20 70 CDIDRO O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CC[NH2+]CC1 ZINC000159407212 284527647 /nfs/dbraw/zinc/52/76/47/284527647.db2.gz HGEMLKWYGYDUJE-RDJZCZTQSA-N 1 0 270.376 1.712 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000160177565 377029650 /nfs/dbraw/zinc/02/96/50/377029650.db2.gz LPPPVZVOYVALMK-JSGCOSHPSA-N 1 0 295.427 1.411 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC000160527251 532967137 /nfs/dbraw/zinc/96/71/37/532967137.db2.gz FDYVCDDIKJNLDY-WCQYABFASA-N 1 0 262.353 1.619 20 70 CDIDRO C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160393470 296357507 /nfs/dbraw/zinc/35/75/07/296357507.db2.gz CLIZMWKQTIVMRS-JHJVBQTASA-N 1 0 254.374 1.531 20 70 CDIDRO CC(C)Oc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000216787164 413084453 /nfs/dbraw/zinc/08/44/53/413084453.db2.gz KEHLOSFVMQRHJH-LBPRGKRZSA-N 1 0 262.353 1.908 20 70 CDIDRO Cc1ccc(S(=O)(=O)CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159926818 292170690 /nfs/dbraw/zinc/17/06/90/292170690.db2.gz INRCZCBUPRPBDR-UHFFFAOYSA-N 1 0 298.408 1.012 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N1CCS[C@H]2CCCC[C@H]21 ZINC000161433650 304353200 /nfs/dbraw/zinc/35/32/00/304353200.db2.gz YFQWGFWATGQXRH-UTUOFQBUSA-N 1 0 254.399 1.483 20 70 CDIDRO CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000160622262 286462377 /nfs/dbraw/zinc/46/23/77/286462377.db2.gz GBZJTCLCPXLVNA-MCIONIFRSA-N 1 0 280.412 1.792 20 70 CDIDRO CN(C(=O)[C@@H]1CCOc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159770888 273786114 /nfs/dbraw/zinc/78/61/14/273786114.db2.gz ZLZXFIGNMKYBAA-ZIAGYGMSSA-N 1 0 274.364 1.748 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161132462 278019064 /nfs/dbraw/zinc/01/90/64/278019064.db2.gz JHOGTYJYBZYPAD-CHWSQXEVSA-N 1 0 292.379 1.721 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000160177643 278162752 /nfs/dbraw/zinc/16/27/52/278162752.db2.gz LPPPVZVOYVALMK-OCCSQVGLSA-N 1 0 295.427 1.411 20 70 CDIDRO Cc1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160923047 278880996 /nfs/dbraw/zinc/88/09/96/278880996.db2.gz NAAVYONWVUJEGW-GFCCVEGCSA-N 1 0 260.337 1.720 20 70 CDIDRO Cc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cnn1CC(C)C ZINC000159463692 292759514 /nfs/dbraw/zinc/75/95/14/292759514.db2.gz QUOBLXFISBRJJY-OAHLLOKOSA-N 1 0 292.427 1.918 20 70 CDIDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160158634 482786317 /nfs/dbraw/zinc/78/63/17/482786317.db2.gz FNKMQJKJUWLSTR-AWEZNQCLSA-N 1 0 281.396 1.651 20 70 CDIDRO CC(=O)Nc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000160861873 482832449 /nfs/dbraw/zinc/83/24/49/482832449.db2.gz IGWDVTHMOAIDBT-NEPJUHHUSA-N 1 0 293.342 1.784 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000160884056 482836327 /nfs/dbraw/zinc/83/63/27/482836327.db2.gz RJIIBMYHIMXHHI-NWDGAFQWSA-N 1 0 268.307 1.893 20 70 CDIDRO CCC[NH2+]CCNCc1cncc(Br)c1 ZINC000161334267 519917961 /nfs/dbraw/zinc/91/79/61/519917961.db2.gz DFQIIDUABWCJQS-UHFFFAOYSA-N 1 0 272.190 1.933 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161393071 521625626 /nfs/dbraw/zinc/62/56/26/521625626.db2.gz GLEILAFNLFCYAW-HUUCEWRRSA-N 1 0 291.443 1.913 20 70 CDIDRO CC[C@H](O)CCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160798140 522795985 /nfs/dbraw/zinc/79/59/85/522795985.db2.gz PDMPFRNQMZLDET-HNNXBMFYSA-N 1 0 293.411 1.708 20 70 CDIDRO C[NH+](C)C1(CNc2nccn(C3CC3)c2=O)CCCC1 ZINC000161024358 524037760 /nfs/dbraw/zinc/03/77/60/524037760.db2.gz LGUTXJIHTOQWFG-UHFFFAOYSA-N 1 0 276.384 1.865 20 70 CDIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648789 525021091 /nfs/dbraw/zinc/02/10/91/525021091.db2.gz FKDYBLQIMGLHRC-HIFRSBDPSA-N 1 0 277.412 1.653 20 70 CDIDRO CCC(=O)N1CCC[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159749525 528309081 /nfs/dbraw/zinc/30/90/81/528309081.db2.gz MQGCKQVXGJUMPE-CYBMUJFWSA-N 1 0 295.427 1.413 20 70 CDIDRO CCC(=O)N1CSC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159497635 528382521 /nfs/dbraw/zinc/38/25/21/528382521.db2.gz AXCWLIBSPGOYHS-LLVKDONJSA-N 1 0 299.440 1.076 20 70 CDIDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC000159876364 361896116 /nfs/dbraw/zinc/89/61/16/361896116.db2.gz XZXHSGKDEAJIQT-CYBMUJFWSA-N 1 0 256.390 1.651 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000161213692 361920189 /nfs/dbraw/zinc/92/01/89/361920189.db2.gz UMPJGGYDNJEPRG-LBPRGKRZSA-N 1 0 280.343 1.805 20 70 CDIDRO C[C@H](CNC(=O)N(C)C[C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000159547149 539114363 /nfs/dbraw/zinc/11/43/63/539114363.db2.gz BBHQJECZNGQSTH-KFWWJZLASA-N 1 0 297.443 1.521 20 70 CDIDRO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160790117 539116818 /nfs/dbraw/zinc/11/68/18/539116818.db2.gz ZINLVNQWNKGMNY-RISCZKNCSA-N 1 0 262.353 1.716 20 70 CDIDRO CS(=O)(=O)CCCC[N@H+](CCO)Cc1ccccc1 ZINC000161441212 539117772 /nfs/dbraw/zinc/11/77/72/539117772.db2.gz HQLUYUFETJOQEC-UHFFFAOYSA-N 1 0 285.409 1.306 20 70 CDIDRO Cc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)nc1 ZINC000160034392 362009937 /nfs/dbraw/zinc/00/99/37/362009937.db2.gz VJWLHTPDOWJLRD-INIZCTEOSA-N 1 0 296.411 1.624 20 70 CDIDRO C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000160148204 342372433 /nfs/dbraw/zinc/37/24/33/342372433.db2.gz CAGKSAKLRKESLM-UPJWGTAASA-N 1 0 254.374 1.531 20 70 CDIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCC(F)(F)F ZINC000159648318 342367901 /nfs/dbraw/zinc/36/79/01/342367901.db2.gz LCGKKZWXVUNTLF-UWVGGRQHSA-N 1 0 264.291 1.929 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000216867666 342439389 /nfs/dbraw/zinc/43/93/89/342439389.db2.gz CLIZVMYNGIQUHE-MNOVXSKESA-N 1 0 293.436 1.808 20 70 CDIDRO [NH3+]CCCC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159544002 362261379 /nfs/dbraw/zinc/26/13/79/362261379.db2.gz WPABYIXXZMQPGR-UHFFFAOYSA-N 1 0 295.427 1.413 20 70 CDIDRO C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1O ZINC000159471267 362325667 /nfs/dbraw/zinc/32/56/67/362325667.db2.gz SOVBMHYOTMAJCC-JSGCOSHPSA-N 1 0 262.353 1.006 20 70 CDIDRO CN(Cc1nc(N)c2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160136793 362396077 /nfs/dbraw/zinc/39/60/77/362396077.db2.gz OOWRLNXBRZCWAI-ZDUSSCGKSA-N 1 0 271.368 1.381 20 70 CDIDRO CC1(C)CC[C@H](C[N@@H+]2CCCC3(C2)OCCO3)O1 ZINC000160391004 346059131 /nfs/dbraw/zinc/05/91/31/346059131.db2.gz CRZNOJFPCYUKSR-GFCCVEGCSA-N 1 0 255.358 1.783 20 70 CDIDRO CCc1nn(C)c(CC)c1CNC1CC[NH+](C)CC1 ZINC000159630918 363085983 /nfs/dbraw/zinc/08/59/83/363085983.db2.gz RZZGPWBJFXMQSL-UHFFFAOYSA-N 1 0 264.417 1.729 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159788672 363306611 /nfs/dbraw/zinc/30/66/11/363306611.db2.gz RAJMSCUIZWDQMV-AWEZNQCLSA-N 1 0 283.416 1.396 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NCc1ncccc1F ZINC000159837817 363367207 /nfs/dbraw/zinc/36/72/07/363367207.db2.gz DQSSJIVIKVUNAI-UHFFFAOYSA-N 1 0 282.363 1.752 20 70 CDIDRO CC[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160908965 358778809 /nfs/dbraw/zinc/77/88/09/358778809.db2.gz CBQUBDPNIDHDAM-KGLIPLIRSA-N 1 0 285.432 1.567 20 70 CDIDRO NC(=O)CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160595258 237182489 /nfs/dbraw/zinc/18/24/89/237182489.db2.gz QDOUPLPVAHDVCR-UHFFFAOYSA-N 1 0 267.417 1.450 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1 ZINC000161330651 283569855 /nfs/dbraw/zinc/56/98/55/283569855.db2.gz VDCBAQVGHWWANF-VXGBXAGGSA-N 1 0 292.383 1.760 20 70 CDIDRO COC(CN1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000161065502 360758165 /nfs/dbraw/zinc/75/81/65/360758165.db2.gz NTHATQNDLJICMF-CQSZACIVSA-N 1 0 278.396 1.812 20 70 CDIDRO Cc1cccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160041546 361065666 /nfs/dbraw/zinc/06/56/66/361065666.db2.gz FUDGBMNDZNFQAH-MRXNPFEDSA-N 1 0 290.407 1.501 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)C12CCCC2 ZINC000159554966 361728278 /nfs/dbraw/zinc/72/82/78/361728278.db2.gz PZIXKUFMWSNGFB-ZIAGYGMSSA-N 1 0 280.412 1.840 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000159423813 364203739 /nfs/dbraw/zinc/20/37/39/364203739.db2.gz PUHZEVAGWSFYRN-MNOVXSKESA-N 1 0 279.340 1.036 20 70 CDIDRO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159636783 364244289 /nfs/dbraw/zinc/24/42/89/364244289.db2.gz LYUBGTGRTYYMOV-DCAQKATOSA-N 1 0 283.397 1.563 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)noc2C)CC1 ZINC000159755354 364260126 /nfs/dbraw/zinc/26/01/26/364260126.db2.gz UQCATFGKCAKRGX-UHFFFAOYSA-N 1 0 280.372 1.529 20 70 CDIDRO COc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160225819 364321439 /nfs/dbraw/zinc/32/14/39/364321439.db2.gz JSUIEQNGWIAGTM-CQSZACIVSA-N 1 0 292.379 1.272 20 70 CDIDRO COc1ccc(C(C)(C)C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000159976276 364288810 /nfs/dbraw/zinc/28/88/10/364288810.db2.gz ITQBRKNEAQMSKK-UHFFFAOYSA-N 1 0 294.395 1.835 20 70 CDIDRO [NH3+]CCCNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000159999071 364292816 /nfs/dbraw/zinc/29/28/16/364292816.db2.gz VHSQYOPVWYTURO-JTQLQIEISA-N 1 0 268.744 1.356 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000160471415 364356860 /nfs/dbraw/zinc/35/68/60/364356860.db2.gz DIBBSLUHQAQVLG-GFCCVEGCSA-N 1 0 290.411 1.749 20 70 CDIDRO C[NH+](C)CCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160748006 364406090 /nfs/dbraw/zinc/40/60/90/364406090.db2.gz YNJGFZLQBHWODC-HUUCEWRRSA-N 1 0 291.395 1.768 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000160481207 364359124 /nfs/dbraw/zinc/35/91/24/364359124.db2.gz XSBBZSQBUPRUPE-MJBXVCDLSA-N 1 0 262.328 1.750 20 70 CDIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc3cnccn23)CCO1 ZINC000160486789 364361910 /nfs/dbraw/zinc/36/19/10/364361910.db2.gz JGYBLKWWUUNOBJ-NSHDSACASA-N 1 0 260.341 1.777 20 70 CDIDRO CNC(=O)[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160566799 364375747 /nfs/dbraw/zinc/37/57/47/364375747.db2.gz YRIQEOSKNSCDLR-SSDOTTSWSA-N 1 0 272.146 1.068 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000160726406 364401479 /nfs/dbraw/zinc/40/14/79/364401479.db2.gz XLVPKFGRARXETI-CQSZACIVSA-N 1 0 258.365 1.830 20 70 CDIDRO CC[N@H+](C)[C@H](C(=O)NCC[C@H](O)COC)c1ccccc1 ZINC000161097221 364448487 /nfs/dbraw/zinc/44/84/87/364448487.db2.gz VNCLIZCLCWPZEP-GJZGRUSLSA-N 1 0 294.395 1.193 20 70 CDIDRO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cnn1CC(C)C ZINC000161262673 364470463 /nfs/dbraw/zinc/47/04/63/364470463.db2.gz GXIMAGRLCVRQKU-ZDUSSCGKSA-N 1 0 278.400 1.529 20 70 CDIDRO O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCCC[NH2+]1 ZINC000161329575 364478765 /nfs/dbraw/zinc/47/87/65/364478765.db2.gz QMTFMVYQAVJZDS-LLVKDONJSA-N 1 0 278.356 1.384 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000161169248 367432539 /nfs/dbraw/zinc/43/25/39/367432539.db2.gz LGRVEHPQBYIKQF-OLZOCXBDSA-N 1 0 262.353 1.488 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000160842729 376148434 /nfs/dbraw/zinc/14/84/34/376148434.db2.gz POZJYQDKORJMPN-GOEBONIOSA-N 1 0 288.391 1.895 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC000160527378 532968436 /nfs/dbraw/zinc/96/84/36/532968436.db2.gz FDYVCDDIKJNLDY-DGCLKSJQSA-N 1 0 262.353 1.619 20 70 CDIDRO COC(C)(C)C[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160965997 292074164 /nfs/dbraw/zinc/07/41/64/292074164.db2.gz BCGSCRZMXKKGNU-TUAOUCFPSA-N 1 0 256.390 1.824 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCN2CCC[C@@H](C)C2)CC1 ZINC000161289429 278088518 /nfs/dbraw/zinc/08/85/18/278088518.db2.gz OYPJFUPSCCBWGL-IUDNXUCKSA-N 1 0 281.444 1.755 20 70 CDIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160539149 292789247 /nfs/dbraw/zinc/78/92/47/292789247.db2.gz NVZIKQQOMZCETR-YPMHNXCESA-N 1 0 276.371 1.857 20 70 CDIDRO CC(C)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1CC1 ZINC000160615812 292791247 /nfs/dbraw/zinc/79/12/47/292791247.db2.gz NYLZITIRWUMIIS-SNVBAGLBSA-N 1 0 252.280 1.689 20 70 CDIDRO COCC(C)(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161372983 292805197 /nfs/dbraw/zinc/80/51/97/292805197.db2.gz CIYAVUPOXMWRAP-CHWSQXEVSA-N 1 0 286.416 1.275 20 70 CDIDRO COCc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161078259 482858123 /nfs/dbraw/zinc/85/81/23/482858123.db2.gz ADRXSINRZSQSTK-STQMWFEESA-N 1 0 262.353 1.833 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000161185359 482868241 /nfs/dbraw/zinc/86/82/41/482868241.db2.gz IDYNJMNVAZWLJM-WDEREUQCSA-N 1 0 285.347 1.940 20 70 CDIDRO CC(C)OCCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160349565 519764007 /nfs/dbraw/zinc/76/40/07/519764007.db2.gz WRZUCINCLQPYGN-HEHGZKQESA-N 1 0 298.427 1.450 20 70 CDIDRO CC(C)S(=O)(=O)CCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159553115 528296514 /nfs/dbraw/zinc/29/65/14/528296514.db2.gz UKPBMACAJXZNJK-OLZOCXBDSA-N 1 0 277.430 1.293 20 70 CDIDRO CC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n(C)c1 ZINC000160902424 539086347 /nfs/dbraw/zinc/08/63/47/539086347.db2.gz IDTJNWRBAQEBBH-VXGBXAGGSA-N 1 0 263.341 1.227 20 70 CDIDRO CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000159631212 398214459 /nfs/dbraw/zinc/21/44/59/398214459.db2.gz BQDGSNJOYKOLNB-QWHCGFSZSA-N 1 0 254.374 1.260 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000159806679 361867792 /nfs/dbraw/zinc/86/77/92/361867792.db2.gz YBUBMJPMGPISKJ-OCCSQVGLSA-N 1 0 294.370 1.766 20 70 CDIDRO CC[C@@H](COC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159889565 361903415 /nfs/dbraw/zinc/90/34/15/361903415.db2.gz BUUNLUJRUQXQIC-LBPRGKRZSA-N 1 0 257.378 1.149 20 70 CDIDRO COC(=O)C1([N@H+](C)CCC(=O)N2CCC[C@H]2C)CCCC1 ZINC000159429834 362321398 /nfs/dbraw/zinc/32/13/98/362321398.db2.gz OEDDHWBCSYPXGP-CYBMUJFWSA-N 1 0 296.411 1.805 20 70 CDIDRO COc1ccccc1OCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000159428246 362321452 /nfs/dbraw/zinc/32/14/52/362321452.db2.gz LGGMLLATEVWTGW-STQMWFEESA-N 1 0 265.353 1.777 20 70 CDIDRO C[C@@H]1CC[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000159582127 362375919 /nfs/dbraw/zinc/37/59/19/362375919.db2.gz QKGOKHSQXYUFCE-ZYHUDNBSSA-N 1 0 268.401 1.979 20 70 CDIDRO COc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc2c1OCO2 ZINC000159990099 362385146 /nfs/dbraw/zinc/38/51/46/362385146.db2.gz FISRJGBQLOWFCW-JQWIXIFHSA-N 1 0 278.352 1.593 20 70 CDIDRO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995212 362386569 /nfs/dbraw/zinc/38/65/69/362386569.db2.gz ZIJMKFFAVMQYPJ-CMPLNLGQSA-N 1 0 278.352 1.593 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCc1nccn1C(F)F ZINC000161278765 362390366 /nfs/dbraw/zinc/39/03/66/362390366.db2.gz LDWGPRIUDXCJBP-UHFFFAOYSA-N 1 0 274.315 1.660 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2n[nH]c(C)n2)cc1 ZINC000161323111 530003194 /nfs/dbraw/zinc/00/31/94/530003194.db2.gz SEVWMIZRMDSSNO-CQSZACIVSA-N 1 0 299.378 1.604 20 70 CDIDRO CCCN(CCC)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159696755 363204110 /nfs/dbraw/zinc/20/41/10/363204110.db2.gz DKUQBGWUCBUXAD-KBPBESRZSA-N 1 0 270.417 1.728 20 70 CDIDRO CC[NH+](CC)CCNC(=O)c1ccnc(Cl)c1F ZINC000159585552 188432988 /nfs/dbraw/zinc/43/29/88/188432988.db2.gz XIDLVCUWHGFUST-UHFFFAOYSA-N 1 0 273.739 1.946 20 70 CDIDRO CCC(CC)[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000159759136 188440481 /nfs/dbraw/zinc/44/04/81/188440481.db2.gz PDEHPNUIGWPZDU-GJZGRUSLSA-N 1 0 278.396 1.470 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C1 ZINC000160476464 188475636 /nfs/dbraw/zinc/47/56/36/188475636.db2.gz XYRWUSMLPRWOSD-VXGBXAGGSA-N 1 0 294.420 1.996 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161123683 188509325 /nfs/dbraw/zinc/50/93/25/188509325.db2.gz AZULUNDWQFJERM-FZMZJTMJSA-N 1 0 280.343 1.851 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(NC(=O)OC)c2)C1 ZINC000160624186 364103659 /nfs/dbraw/zinc/10/36/59/364103659.db2.gz RWCZTJRABFRMAR-GFCCVEGCSA-N 1 0 277.324 1.299 20 70 CDIDRO C[C@H](O)CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000159377466 364195148 /nfs/dbraw/zinc/19/51/48/364195148.db2.gz COGSTCDNMMFVQT-UWVGGRQHSA-N 1 0 261.325 1.297 20 70 CDIDRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH2+]CC1 ZINC000159454531 364209447 /nfs/dbraw/zinc/20/94/47/364209447.db2.gz DSEUIENEIKXLFG-WDEREUQCSA-N 1 0 266.291 1.500 20 70 CDIDRO CN(Cc1cccs1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159672267 364249570 /nfs/dbraw/zinc/24/95/70/364249570.db2.gz UGJNODZCSWOLED-JSGCOSHPSA-N 1 0 296.436 1.799 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709753 364254776 /nfs/dbraw/zinc/25/47/76/364254776.db2.gz LJWIWUGQXPAXJY-ZDUSSCGKSA-N 1 0 295.358 1.045 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(O)c2)CC1 ZINC000159719869 364256336 /nfs/dbraw/zinc/25/63/36/364256336.db2.gz QVRAFGLTCQHJDX-UHFFFAOYSA-N 1 0 277.368 1.629 20 70 CDIDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc2ccccc2o1 ZINC000159773565 364264098 /nfs/dbraw/zinc/26/40/98/364264098.db2.gz JNUQBBDGULTYAS-SNVBAGLBSA-N 1 0 287.319 1.635 20 70 CDIDRO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cn2)n1 ZINC000160320403 364334072 /nfs/dbraw/zinc/33/40/72/364334072.db2.gz NOYPCZPEWQBBFB-AWEZNQCLSA-N 1 0 299.378 1.447 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000160330800 364336226 /nfs/dbraw/zinc/33/62/26/364336226.db2.gz DBEOLRZTSIFKOT-CYBMUJFWSA-N 1 0 280.368 1.473 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC000160561926 364374043 /nfs/dbraw/zinc/37/40/43/364374043.db2.gz QPSLRTFRWUXIST-ZDUSSCGKSA-N 1 0 262.353 1.366 20 70 CDIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000160962842 364433753 /nfs/dbraw/zinc/43/37/53/364433753.db2.gz OAXAEEKPVHNMRG-JSGCOSHPSA-N 1 0 292.379 1.326 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NCC[C@H](O)c2ccccc2)C1 ZINC000160848028 364418921 /nfs/dbraw/zinc/41/89/21/364418921.db2.gz NQHDNLXUALZGOX-RDBSUJKOSA-N 1 0 262.353 1.354 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000161034604 365246690 /nfs/dbraw/zinc/24/66/90/365246690.db2.gz SSOOODOCHMXDRD-GFCCVEGCSA-N 1 0 298.408 1.606 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000161037784 365254490 /nfs/dbraw/zinc/25/44/90/365254490.db2.gz JUVNFOCDDFBVST-ZLKJLUDKSA-N 1 0 278.352 1.655 20 70 CDIDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218087499 367261078 /nfs/dbraw/zinc/26/10/78/367261078.db2.gz VGYWHNXGKZFCJO-NSHDSACASA-N 1 0 278.377 1.692 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217588021 373715553 /nfs/dbraw/zinc/71/55/53/373715553.db2.gz IHIXSNBWDGYARK-UKRRQHHQSA-N 1 0 275.396 1.535 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161505069 375648903 /nfs/dbraw/zinc/64/89/03/375648903.db2.gz CSZZAHBVFZQOFB-BXKDBHETSA-N 1 0 250.298 1.140 20 70 CDIDRO Cc1cc(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000160285073 377044411 /nfs/dbraw/zinc/04/44/11/377044411.db2.gz IMABWWOAXLNYFF-GHMZBOCLSA-N 1 0 282.771 1.975 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1CO ZINC000161010297 377147698 /nfs/dbraw/zinc/14/76/98/377147698.db2.gz DEVUSYLBJWJQBE-GJZGRUSLSA-N 1 0 297.443 1.663 20 70 CDIDRO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ncn1 ZINC000161367317 377601170 /nfs/dbraw/zinc/60/11/70/377601170.db2.gz LUWIXKQJZVROGU-UHFFFAOYSA-N 1 0 260.341 1.142 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000161487350 377681570 /nfs/dbraw/zinc/68/15/70/377681570.db2.gz BXFXSKRTILLYKH-JOCQHMNTSA-N 1 0 271.405 1.179 20 70 CDIDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC000160845647 391527519 /nfs/dbraw/zinc/52/75/19/391527519.db2.gz AQGIFMGNMIGGMW-KBPBESRZSA-N 1 0 292.427 1.937 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000159929016 139907521 /nfs/dbraw/zinc/90/75/21/139907521.db2.gz SSXGJXYWOBNQIN-CYBMUJFWSA-N 1 0 286.372 1.492 20 70 CDIDRO CC(C)[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217633803 140164505 /nfs/dbraw/zinc/16/45/05/140164505.db2.gz KMJIOYYIYMYXLJ-HZSPNIEDSA-N 1 0 270.417 1.630 20 70 CDIDRO CN(CC(=O)Nc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160150504 147708935 /nfs/dbraw/zinc/70/89/35/147708935.db2.gz ZBOBTKYOOWFVDT-ZDUSSCGKSA-N 1 0 281.787 1.948 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)[C@H](C[NH3+])C(C)C)n1 ZINC000160160399 147709150 /nfs/dbraw/zinc/70/91/50/147709150.db2.gz UEVLLFSENYHXCT-CYBMUJFWSA-N 1 0 266.389 1.237 20 70 CDIDRO CN(CC(=O)Nc1ccc2c(c1)CCC2)[C@H](C[NH3+])C1CC1 ZINC000160088712 276919626 /nfs/dbraw/zinc/91/96/26/276919626.db2.gz ZVWLRNQTTDLZBR-MRXNPFEDSA-N 1 0 287.407 1.783 20 70 CDIDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1F)N(C)C1CC1 ZINC000218664546 280091130 /nfs/dbraw/zinc/09/11/30/280091130.db2.gz KKLHEFXCVWBWGN-JSGCOSHPSA-N 1 0 296.386 1.638 20 70 CDIDRO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[NH2+]CC1)C2 ZINC000160881058 280672717 /nfs/dbraw/zinc/67/27/17/280672717.db2.gz LOILXOACVAQPOO-HNNXBMFYSA-N 1 0 274.364 1.429 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)NC1CCCC1)C(=O)OC ZINC000159684406 292765550 /nfs/dbraw/zinc/76/55/50/292765550.db2.gz GZUJQHDWDYYILJ-UHFFFAOYSA-N 1 0 284.400 1.614 20 70 CDIDRO COC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160573623 292790847 /nfs/dbraw/zinc/79/08/47/292790847.db2.gz TZQWJIWHFFLVBQ-SNVBAGLBSA-N 1 0 275.345 1.224 20 70 CDIDRO CCN(CC[NH2+]C[C@@H](O)COc1cccc(C)c1)C1CC1 ZINC000218460126 329469850 /nfs/dbraw/zinc/46/98/50/329469850.db2.gz PRWVVKQUKWNGME-MRXNPFEDSA-N 1 0 292.423 1.809 20 70 CDIDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)N(C)C1CC1 ZINC000218665136 329483842 /nfs/dbraw/zinc/48/38/42/329483842.db2.gz OFDFYTTUINRNJX-DZGCQCFKSA-N 1 0 278.396 1.499 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000160992579 482849670 /nfs/dbraw/zinc/84/96/70/482849670.db2.gz XXRAGWGCCFBMGG-VXGBXAGGSA-N 1 0 272.352 1.263 20 70 CDIDRO CC(=O)c1csc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161025263 482854766 /nfs/dbraw/zinc/85/47/66/482854766.db2.gz HGDFNZNRWQNBIW-GHMZBOCLSA-N 1 0 266.366 1.950 20 70 CDIDRO CO[C@H]1CCN(C(=O)CCC2CCCC2)[C@H](C[NH3+])C1 ZINC000161139319 523988618 /nfs/dbraw/zinc/98/86/18/523988618.db2.gz IQMKAIXQMAUCPX-KBPBESRZSA-N 1 0 268.401 1.922 20 70 CDIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1(C)CC1 ZINC000161016561 525437490 /nfs/dbraw/zinc/43/74/90/525437490.db2.gz LCGPSPKCCVASLP-NSHDSACASA-N 1 0 289.379 1.180 20 70 CDIDRO CCCC[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000161426773 528456247 /nfs/dbraw/zinc/45/62/47/528456247.db2.gz PVLWLENMTJBPSQ-INIZCTEOSA-N 1 0 297.443 1.807 20 70 CDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159738638 361820779 /nfs/dbraw/zinc/82/07/79/361820779.db2.gz YZHUPZHVWFPMLD-HNNXBMFYSA-N 1 0 296.459 1.456 20 70 CDIDRO COC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000161068877 361826957 /nfs/dbraw/zinc/82/69/57/361826957.db2.gz QNDIBUDXSQYENS-KGLIPLIRSA-N 1 0 280.412 1.840 20 70 CDIDRO C[C@@H](C(=O)N1CCC(O)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000159884987 361891487 /nfs/dbraw/zinc/89/14/87/361891487.db2.gz MCMRKCZSSYSAEA-SRVKXCTJSA-N 1 0 254.374 1.231 20 70 CDIDRO CO[C@@]1(C[NH2+][C@H]2CCCc3cccnc32)CCOC1 ZINC000160126648 539115399 /nfs/dbraw/zinc/11/53/99/539115399.db2.gz FRELQUAHAVZJOE-DZGCQCFKSA-N 1 0 262.353 1.854 20 70 CDIDRO CC(C)(C)[C@@H]([NH2+]Cc1cnc2ccccn12)C(N)=O ZINC000160161939 362042893 /nfs/dbraw/zinc/04/28/93/362042893.db2.gz OACAXHOHNCEBBX-LBPRGKRZSA-N 1 0 260.341 1.324 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000161257439 362260161 /nfs/dbraw/zinc/26/01/61/362260161.db2.gz OVQBZUJCTUPKMY-QWHCGFSZSA-N 1 0 270.417 1.929 20 70 CDIDRO COC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000159429938 362321462 /nfs/dbraw/zinc/32/14/62/362321462.db2.gz KVMXJJZIHCXJGO-ZDUSSCGKSA-N 1 0 293.367 1.583 20 70 CDIDRO COc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1C ZINC000159799208 362371856 /nfs/dbraw/zinc/37/18/56/362371856.db2.gz QLIQMNRNRGKIPC-ZDUSSCGKSA-N 1 0 262.353 1.813 20 70 CDIDRO CN(C(=O)Cc1c(F)cccc1F)[C@@H](C[NH3+])C1CC1 ZINC000159829152 362373168 /nfs/dbraw/zinc/37/31/68/362373168.db2.gz XLSJHJBIJZHXKB-ZDUSSCGKSA-N 1 0 268.307 1.703 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)COC2)[C@@H](C[NH3+])C1CC1 ZINC000159814180 362373213 /nfs/dbraw/zinc/37/32/13/362373213.db2.gz CDTNUVRVIWVHRA-AWEZNQCLSA-N 1 0 260.337 1.526 20 70 CDIDRO CN(Cc1nc(-c2cccs2)no1)[C@H](C[NH3+])C1CC1 ZINC000160017060 362386789 /nfs/dbraw/zinc/38/67/89/362386789.db2.gz GFBZZUJNAHNDFB-SNVBAGLBSA-N 1 0 278.381 1.967 20 70 CDIDRO CCn1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cn1 ZINC000160581394 362451262 /nfs/dbraw/zinc/45/12/62/362451262.db2.gz AEOYHFDMGMUBPZ-QMMMGPOBSA-N 1 0 278.278 1.232 20 70 CDIDRO CCCCOCCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000161383380 362913998 /nfs/dbraw/zinc/91/39/98/362913998.db2.gz YAVPOPLSBIWMRW-ZDUSSCGKSA-N 1 0 268.401 1.699 20 70 CDIDRO CO[C@@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159632995 363090533 /nfs/dbraw/zinc/09/05/33/363090533.db2.gz VLQBAKBIZPGFEK-CHWSQXEVSA-N 1 0 271.405 1.536 20 70 CDIDRO CC[NH+]1CCC(NC(=O)N(C)CC2CCOCC2)CC1 ZINC000159709896 363213282 /nfs/dbraw/zinc/21/32/82/363213282.db2.gz RZRBZEOLRGYSQJ-UHFFFAOYSA-N 1 0 283.416 1.539 20 70 CDIDRO C[C@H](NC(=O)c1ccoc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159469384 188427034 /nfs/dbraw/zinc/42/70/34/188427034.db2.gz IAKBSRJTRDUYBQ-NSHDSACASA-N 1 0 293.367 1.176 20 70 CDIDRO CCOc1cc(CCCNC(=O)[C@@H](C)[NH3+])ccc1OC ZINC000160062909 188453412 /nfs/dbraw/zinc/45/34/12/188453412.db2.gz LBIZWMNWQGAUCN-LLVKDONJSA-N 1 0 280.368 1.490 20 70 CDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CC2CCOCC2)C1 ZINC000159777524 363297318 /nfs/dbraw/zinc/29/73/18/363297318.db2.gz CAGFALLHUSOQMQ-HNNXBMFYSA-N 1 0 297.443 1.786 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159806384 363329772 /nfs/dbraw/zinc/32/97/72/363329772.db2.gz GKCCBXGMWCNGGL-NSHDSACASA-N 1 0 280.347 1.362 20 70 CDIDRO C[C@@H](O)CC(C)(C)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000160950080 357542406 /nfs/dbraw/zinc/54/24/06/357542406.db2.gz XAACDJLSELLZRA-QWHCGFSZSA-N 1 0 284.444 1.926 20 70 CDIDRO O=C([C@H]1COc2ccccc2O1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160570917 358742496 /nfs/dbraw/zinc/74/24/96/358742496.db2.gz JYSYDFSMGRPGOX-TYNCELHUSA-N 1 0 288.347 1.179 20 70 CDIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000160846053 358774271 /nfs/dbraw/zinc/77/42/71/358774271.db2.gz ICNUODFFFCQLBM-GXTWGEPZSA-N 1 0 281.400 1.434 20 70 CDIDRO CCOc1ccc(CNC(=O)NCC[NH+](C)C)cc1 ZINC000217300954 358993475 /nfs/dbraw/zinc/99/34/75/358993475.db2.gz FUPJEEYVSYHQSU-UHFFFAOYSA-N 1 0 265.357 1.446 20 70 CDIDRO Cc1nc2ccccn2c1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000160162714 363704220 /nfs/dbraw/zinc/70/42/20/363704220.db2.gz YLYZTCWYJMFZRJ-CYBMUJFWSA-N 1 0 274.368 1.632 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@H]2CSCN2)CC1 ZINC000159468784 361708512 /nfs/dbraw/zinc/70/85/12/361708512.db2.gz JXNXOOJSVMKAOH-VXGBXAGGSA-N 1 0 272.414 1.457 20 70 CDIDRO C[C@H](CNC(=O)NCC1(C)CCCC1)CN1CCOCC1 ZINC000159470134 361708712 /nfs/dbraw/zinc/70/87/12/361708712.db2.gz PMOXSPZMOPYOAW-CQSZACIVSA-N 1 0 297.443 1.834 20 70 CDIDRO C[C@@H](CO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000159508898 361725151 /nfs/dbraw/zinc/72/51/51/361725151.db2.gz XJBINAMOLDCKSV-PNESKVBLSA-N 1 0 271.405 1.034 20 70 CDIDRO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159530350 361732061 /nfs/dbraw/zinc/73/20/61/361732061.db2.gz PBNLHSMSFJNYFM-OLZOCXBDSA-N 1 0 264.369 1.312 20 70 CDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160320272 363815213 /nfs/dbraw/zinc/81/52/13/363815213.db2.gz IAQPBYZMSCARSW-UKRRQHHQSA-N 1 0 283.416 1.417 20 70 CDIDRO O=C(c1cncc(-c2ccccc2)c1)N1CC[NH2+]CC1 ZINC000159395407 364198046 /nfs/dbraw/zinc/19/80/46/364198046.db2.gz GZMYFEGSESVFEK-UHFFFAOYSA-N 1 0 267.332 1.794 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000159394659 364198622 /nfs/dbraw/zinc/19/86/22/364198622.db2.gz WGFXLXSTSRLUSP-BDAKNGLRSA-N 1 0 272.295 1.604 20 70 CDIDRO CC[NH+](CC)[C@@H](C(=O)NCCO)c1ccccc1 ZINC000159428801 364204909 /nfs/dbraw/zinc/20/49/09/364204909.db2.gz KTVOLEFLDBYYSV-CYBMUJFWSA-N 1 0 250.342 1.178 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(O)cc2)CC1 ZINC000159583474 364237986 /nfs/dbraw/zinc/23/79/86/364237986.db2.gz CGKIOYWRZJYAGL-UHFFFAOYSA-N 1 0 277.368 1.629 20 70 CDIDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000159760299 364261704 /nfs/dbraw/zinc/26/17/04/364261704.db2.gz DMQYFGHXMZHRNK-ZDUSSCGKSA-N 1 0 294.782 1.985 20 70 CDIDRO C[C@H](O)CN(C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000159510336 364223863 /nfs/dbraw/zinc/22/38/63/364223863.db2.gz BIBZCGSSKKZREB-RYUDHWBXSA-N 1 0 260.341 1.641 20 70 CDIDRO Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H]([NH3+])C3)c12 ZINC000160224806 364321685 /nfs/dbraw/zinc/32/16/85/364321685.db2.gz RTRRRDDNUFRCDG-SNVBAGLBSA-N 1 0 288.351 1.828 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCCOc1ccc(F)cc1 ZINC000159986460 364291146 /nfs/dbraw/zinc/29/11/46/364291146.db2.gz HUEIIVGFYIEJQN-UHFFFAOYSA-N 1 0 268.332 1.838 20 70 CDIDRO Cc1nn(-c2ccccc2)cc1C(=O)NCC(C)(C)[NH3+] ZINC000160048401 364298912 /nfs/dbraw/zinc/29/89/12/364298912.db2.gz RAXINYKZZYQIFC-UHFFFAOYSA-N 1 0 272.352 1.648 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160079892 364303854 /nfs/dbraw/zinc/30/38/54/364303854.db2.gz OKVWKKXWBDKJAQ-CQSZACIVSA-N 1 0 280.343 1.402 20 70 CDIDRO CCCCOC(=O)[C@@H](C)N(CC)Cc1cnn(C)c1 ZINC000160097057 364305914 /nfs/dbraw/zinc/30/59/14/364305914.db2.gz JQSNUUFFFCSUHG-GFCCVEGCSA-N 1 0 267.373 1.974 20 70 CDIDRO C[C@@H](CCOc1ccccc1)C(=O)NCCC[NH3+] ZINC000160152488 364312620 /nfs/dbraw/zinc/31/26/20/364312620.db2.gz WYKZAVWKNDPLGD-LBPRGKRZSA-N 1 0 250.342 1.557 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCOCc2ccccc2)C1 ZINC000160467706 364356939 /nfs/dbraw/zinc/35/69/39/364356939.db2.gz UWYNRZCSPIIENW-HNNXBMFYSA-N 1 0 276.380 1.804 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(CC(C)C)n2)C1 ZINC000160711633 364399514 /nfs/dbraw/zinc/39/95/14/364399514.db2.gz WURJBQYISVJAGK-JTQLQIEISA-N 1 0 267.398 1.776 20 70 CDIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000161029108 364439455 /nfs/dbraw/zinc/43/94/55/364439455.db2.gz YDGVSVMJNVCNDI-CQSZACIVSA-N 1 0 289.379 1.180 20 70 CDIDRO Cn1ncnc1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000161342908 364480601 /nfs/dbraw/zinc/48/06/01/364480601.db2.gz HBBGWYXUUYEJML-CQSZACIVSA-N 1 0 271.368 1.304 20 70 CDIDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160700583 370820380 /nfs/dbraw/zinc/82/03/80/370820380.db2.gz RMQBUHYARIWTKD-MRXNPFEDSA-N 1 0 297.443 1.806 20 70 CDIDRO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217805409 367258130 /nfs/dbraw/zinc/25/81/30/367258130.db2.gz QTGLRKRCQRTPPX-KGLIPLIRSA-N 1 0 259.353 1.625 20 70 CDIDRO CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C(C)C ZINC000217727725 373720244 /nfs/dbraw/zinc/72/02/44/373720244.db2.gz UDACRRPIFOAVQG-OFQRWUPVSA-N 1 0 280.412 1.981 20 70 CDIDRO COCCOCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000218081595 375786708 /nfs/dbraw/zinc/78/67/08/375786708.db2.gz ZHYWUPHNAHLZJD-UHFFFAOYSA-N 1 0 277.368 1.716 20 70 CDIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159805851 390976496 /nfs/dbraw/zinc/97/64/96/390976496.db2.gz SNYTWZDIKSMNGE-KYOSRNDESA-N 1 0 292.354 1.519 20 70 CDIDRO CC[C@H](C(=O)NC[C@@H](O)c1ccccc1)[NH+](C)C ZINC000160041503 390977506 /nfs/dbraw/zinc/97/75/06/390977506.db2.gz RMBUYINMDCHDOG-CHWSQXEVSA-N 1 0 250.342 1.176 20 70 CDIDRO C[C@H](C[NH2+]Cc1cnc(N(C)C)n1C)N(C)C1CC1 ZINC000217533953 140163253 /nfs/dbraw/zinc/16/32/53/140163253.db2.gz XPBDCZMAZCIWIA-LLVKDONJSA-N 1 0 265.405 1.058 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)CCC2)[C@@H](C[NH3+])C1CC1 ZINC000159812268 139905176 /nfs/dbraw/zinc/90/51/76/139905176.db2.gz UUMMXDYBFYLCDO-HNNXBMFYSA-N 1 0 258.365 1.985 20 70 CDIDRO COC1(C(=O)N2CCC3(C2)CCCCC3)CC[NH2+]CC1 ZINC000161198108 292083894 /nfs/dbraw/zinc/08/38/94/292083894.db2.gz AAMIQSHXFAOPPJ-UHFFFAOYSA-N 1 0 280.412 1.938 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160621051 286241627 /nfs/dbraw/zinc/24/16/27/286241627.db2.gz KSFVQFUOIUTSDZ-BFHYXJOUSA-N 1 0 296.411 1.171 20 70 CDIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC(N)=O)CCO2 ZINC000161373685 274137479 /nfs/dbraw/zinc/13/74/79/274137479.db2.gz VBOMIKNYNUHUGT-JOYOIKCWSA-N 1 0 264.325 1.372 20 70 CDIDRO COc1c(C)cnc(CN(C)[C@H](C[NH3+])C2CC2)c1C ZINC000160166313 277362625 /nfs/dbraw/zinc/36/26/25/277362625.db2.gz ISKUGAGOMRHXSU-CQSZACIVSA-N 1 0 263.385 1.876 20 70 CDIDRO COc1cc(OC)nc(N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000159777782 295014601 /nfs/dbraw/zinc/01/46/01/295014601.db2.gz QMQDTSKVHYWTHW-NSHDSACASA-N 1 0 280.372 1.780 20 70 CDIDRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000218597587 329484967 /nfs/dbraw/zinc/48/49/67/329484967.db2.gz BEIISXPBTDRLDU-GOEBONIOSA-N 1 0 292.423 1.807 20 70 CDIDRO CCCN(CCC)S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000159584972 482729173 /nfs/dbraw/zinc/72/91/73/482729173.db2.gz HMQQHXRXIMLUPR-UHFFFAOYSA-N 1 0 299.440 1.602 20 70 CDIDRO COc1cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])cc2c1OCO2 ZINC000159985410 482774090 /nfs/dbraw/zinc/77/40/90/482774090.db2.gz ACGIVPFQINAXLF-DGCLKSJQSA-N 1 0 292.379 1.983 20 70 CDIDRO CC(=O)c1csc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161025014 482854681 /nfs/dbraw/zinc/85/46/81/482854681.db2.gz HGDFNZNRWQNBIW-WDEREUQCSA-N 1 0 266.366 1.950 20 70 CDIDRO CCCc1noc(CCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000161082375 482858860 /nfs/dbraw/zinc/85/88/60/482858860.db2.gz MYRUIXBATYREGB-VXGBXAGGSA-N 1 0 294.399 1.731 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000161471068 482880033 /nfs/dbraw/zinc/88/00/33/482880033.db2.gz DFXIZTATXJJQJI-UONOGXRCSA-N 1 0 284.363 1.872 20 70 CDIDRO CC(C)[C@H](O)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000160897696 519822989 /nfs/dbraw/zinc/82/29/89/519822989.db2.gz FWFSRGFZUZOFLN-CYBMUJFWSA-N 1 0 250.342 1.282 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@H](CO)CC(C)C)CC1 ZINC000161352224 519645971 /nfs/dbraw/zinc/64/59/71/519645971.db2.gz HGMZFDLAAOOKPP-RUXDESIVSA-N 1 0 256.390 1.430 20 70 CDIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC000161058324 521722107 /nfs/dbraw/zinc/72/21/07/521722107.db2.gz VCWJXAZGJKPSIW-MQYQWHSLSA-N 1 0 266.385 1.497 20 70 CDIDRO COCCOCCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161236972 523996501 /nfs/dbraw/zinc/99/65/01/523996501.db2.gz JTBPMYKDCHJTSC-UHFFFAOYSA-N 1 0 272.389 1.076 20 70 CDIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000160931624 527177923 /nfs/dbraw/zinc/17/79/23/527177923.db2.gz ZHRKPNWAVPNNDR-CYBMUJFWSA-N 1 0 286.379 1.730 20 70 CDIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000160931761 527178045 /nfs/dbraw/zinc/17/80/45/527178045.db2.gz ZHRKPNWAVPNNDR-ZDUSSCGKSA-N 1 0 286.379 1.730 20 70 CDIDRO CC[C@@H](CSC)[NH2+]C1CCS(=O)(=O)CC1 ZINC000217328021 617345508 /nfs/dbraw/zinc/34/55/08/617345508.db2.gz LUSWVVMCIWCNBZ-VIFPVBQESA-N 1 0 251.417 1.295 20 70 CDIDRO C[C@@H](CNC(=O)Cc1cccc(N)c1)[NH+]1CCCC1 ZINC000160718256 342073150 /nfs/dbraw/zinc/07/31/50/342073150.db2.gz DGCYQZXCCXQOMG-LBPRGKRZSA-N 1 0 261.369 1.412 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCOCCC(C)C)CC1 ZINC000159775562 361847086 /nfs/dbraw/zinc/84/70/86/361847086.db2.gz WIQBCQOEUVJJFE-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000161155656 361900647 /nfs/dbraw/zinc/90/06/47/361900647.db2.gz BJCNLJHXNXBYPT-ZIAGYGMSSA-N 1 0 276.380 1.973 20 70 CDIDRO CC(C)Oc1cncc(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000159902955 361919827 /nfs/dbraw/zinc/91/98/27/361919827.db2.gz KOYHFLOCVWJHHY-UHFFFAOYSA-N 1 0 291.395 1.940 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161221641 361929817 /nfs/dbraw/zinc/92/98/17/361929817.db2.gz SVZNRESMFHSBAD-OCCSQVGLSA-N 1 0 266.385 1.546 20 70 CDIDRO COCCN(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000159377437 539114117 /nfs/dbraw/zinc/11/41/17/539114117.db2.gz MAIDFOUWRJXHND-HNNXBMFYSA-N 1 0 266.360 1.981 20 70 CDIDRO Cc1ncoc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000159575354 282228273 /nfs/dbraw/zinc/22/82/73/282228273.db2.gz XDDBWNWZRAHSQI-LLVKDONJSA-N 1 0 257.293 1.513 20 70 CDIDRO CCc1nnc(C)cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159776957 362369967 /nfs/dbraw/zinc/36/99/67/362369967.db2.gz NYXPXOFFYMDWSO-CYBMUJFWSA-N 1 0 262.357 1.157 20 70 CDIDRO C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160155897 362400096 /nfs/dbraw/zinc/40/00/96/362400096.db2.gz GRAGITPCWQOHKL-LRDDRELGSA-N 1 0 287.407 1.633 20 70 CDIDRO COc1ccc(F)cc1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000217173675 344838281 /nfs/dbraw/zinc/83/82/81/344838281.db2.gz MARSHQGYVQGUOX-JTQLQIEISA-N 1 0 266.316 1.197 20 70 CDIDRO Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161197373 362581053 /nfs/dbraw/zinc/58/10/53/362581053.db2.gz AYGMMFDYVKYVDJ-UHFFFAOYSA-N 1 0 290.407 1.800 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161106537 362667702 /nfs/dbraw/zinc/66/77/02/362667702.db2.gz WAVHMFJETJCMDS-UHTWSYAYSA-N 1 0 254.374 1.304 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCCN1CCCCCC1=O ZINC000161167888 362708256 /nfs/dbraw/zinc/70/82/56/362708256.db2.gz HHWDLYRDUIKBCH-UHFFFAOYSA-N 1 0 297.443 1.660 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508698 188429435 /nfs/dbraw/zinc/42/94/35/188429435.db2.gz YMKVJSNGJFXDTP-YGRLFVJLSA-N 1 0 296.798 1.959 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000160201060 188459764 /nfs/dbraw/zinc/45/97/64/188459764.db2.gz VJUQLVJXIITTEF-CQSZACIVSA-N 1 0 270.336 1.436 20 70 CDIDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160280976 188464091 /nfs/dbraw/zinc/46/40/91/188464091.db2.gz IDTGKABHOCROMN-CQSZACIVSA-N 1 0 292.427 1.648 20 70 CDIDRO COCCC1(CNC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000159746034 363270985 /nfs/dbraw/zinc/27/09/85/363270985.db2.gz XIZRQSAVLAZKQI-LBPRGKRZSA-N 1 0 286.441 1.357 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161174483 358790339 /nfs/dbraw/zinc/79/03/39/358790339.db2.gz KNIZLQVBLJFQJV-WFASDCNBSA-N 1 0 280.343 1.580 20 70 CDIDRO COC(=O)[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000160854081 237186773 /nfs/dbraw/zinc/18/67/73/237186773.db2.gz IZZOGJSTHIFRHQ-CQSZACIVSA-N 1 0 268.401 1.747 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000160387024 237173091 /nfs/dbraw/zinc/17/30/91/237173091.db2.gz DVFKMGDZFJIQRG-CQSZACIVSA-N 1 0 299.378 1.447 20 70 CDIDRO COc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000160157354 363691815 /nfs/dbraw/zinc/69/18/15/363691815.db2.gz ADCSFYLMRQTZON-ZIAGYGMSSA-N 1 0 274.364 1.893 20 70 CDIDRO O=C(Nc1cnn(CC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000160990533 360683643 /nfs/dbraw/zinc/68/36/43/360683643.db2.gz GPSSVUDCFWPPGG-MRVPVSSYSA-N 1 0 258.272 1.086 20 70 CDIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000160828582 361254710 /nfs/dbraw/zinc/25/47/10/361254710.db2.gz WXPNMEMHGAEGDC-KBPBESRZSA-N 1 0 295.427 1.093 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000159379106 361678025 /nfs/dbraw/zinc/67/80/25/361678025.db2.gz YDDRXUJIMGDVQO-GXSJLCMTSA-N 1 0 282.315 1.669 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCCCc1cccc(F)c1 ZINC000159453692 361702540 /nfs/dbraw/zinc/70/25/40/361702540.db2.gz JWHNXOOAHAQDDO-ZDUSSCGKSA-N 1 0 252.333 1.858 20 70 CDIDRO O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000159449403 364207940 /nfs/dbraw/zinc/20/79/40/364207940.db2.gz UHDONCUEOHJDIU-XHSDSOJGSA-N 1 0 288.391 1.502 20 70 CDIDRO Cc1nc(COc2ccc(NC(=O)[C@@H](C)[NH3+])cc2)no1 ZINC000159474766 364214471 /nfs/dbraw/zinc/21/44/71/364214471.db2.gz YHENQCSSVJIQSE-MRVPVSSYSA-N 1 0 276.296 1.243 20 70 CDIDRO COC(=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000159644017 364245994 /nfs/dbraw/zinc/24/59/94/364245994.db2.gz IFFYGGJLOVVDIA-LBPRGKRZSA-N 1 0 276.336 1.340 20 70 CDIDRO Cc1c([C@H](C)[NH2+]CCO)nnn1-c1cccc(Cl)c1 ZINC000159674674 364249144 /nfs/dbraw/zinc/24/91/44/364249144.db2.gz USSGOPCSSZAWPX-VIFPVBQESA-N 1 0 280.759 1.872 20 70 CDIDRO CCc1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159771426 364262364 /nfs/dbraw/zinc/26/23/64/364262364.db2.gz SPQSNBJYDWMYBY-UHFFFAOYSA-N 1 0 250.342 1.929 20 70 CDIDRO CCC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159781524 364263857 /nfs/dbraw/zinc/26/38/57/364263857.db2.gz NGUMRDMHAKOBFK-LBPRGKRZSA-N 1 0 250.346 1.257 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)CC(C)(CO)CO)c(C)c1 ZINC000159520555 364227316 /nfs/dbraw/zinc/22/73/16/364227316.db2.gz CKVXEPUQEQSNOE-UHFFFAOYSA-N 1 0 294.395 1.165 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1C ZINC000160320636 364334848 /nfs/dbraw/zinc/33/48/48/364334848.db2.gz IBJKVCNCVKYLTG-WDEREUQCSA-N 1 0 250.346 1.586 20 70 CDIDRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(C)(C)[NH3+] ZINC000159933551 364283811 /nfs/dbraw/zinc/28/38/11/364283811.db2.gz FZNHGRQDAZRYTQ-UHFFFAOYSA-N 1 0 286.379 1.956 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 ZINC000160548306 364372153 /nfs/dbraw/zinc/37/21/53/364372153.db2.gz PFGMCVPVZBSQML-CYBMUJFWSA-N 1 0 262.353 1.503 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(NS(C)(=O)=O)cc1 ZINC000160615997 364382281 /nfs/dbraw/zinc/38/22/81/364382281.db2.gz WWCWPGPSXDYMQW-SNVBAGLBSA-N 1 0 286.397 1.480 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@@H]2CCC[NH2+]C2)o1 ZINC000160641347 364387700 /nfs/dbraw/zinc/38/77/00/364387700.db2.gz QWZVVCFKQUPUFR-SNVBAGLBSA-N 1 0 265.357 1.588 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@H]2CCC[NH2+]C2)o1 ZINC000160641485 364388611 /nfs/dbraw/zinc/38/86/11/364388611.db2.gz QWZVVCFKQUPUFR-JTQLQIEISA-N 1 0 265.357 1.588 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000160991057 364436921 /nfs/dbraw/zinc/43/69/21/364436921.db2.gz RMBJHQMHLTUNEW-MRVPVSSYSA-N 1 0 278.328 1.167 20 70 CDIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(F)cc1F ZINC000161044933 364441776 /nfs/dbraw/zinc/44/17/76/364441776.db2.gz DIBHXZYVZCPZAH-WRWORJQWSA-N 1 0 285.294 1.589 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000161387769 364488315 /nfs/dbraw/zinc/48/83/15/364488315.db2.gz DSDZWNXOCZRUSF-LBPRGKRZSA-N 1 0 275.352 1.607 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000217588734 373716456 /nfs/dbraw/zinc/71/64/56/373716456.db2.gz GXSLQCDHBLRLGI-XJKSGUPXSA-N 1 0 287.407 1.331 20 70 CDIDRO CC(C)c1ccc(N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000161459075 375404109 /nfs/dbraw/zinc/40/41/09/375404109.db2.gz PIAAWFSUNZSCMD-UONOGXRCSA-N 1 0 262.353 1.496 20 70 CDIDRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000161406423 377226944 /nfs/dbraw/zinc/22/69/44/377226944.db2.gz MWDCDDXZMPLQLC-MCIONIFRSA-N 1 0 284.400 1.171 20 70 CDIDRO COCCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161319991 377558783 /nfs/dbraw/zinc/55/87/83/377558783.db2.gz HGDKUKCYZYTSIM-UHFFFAOYSA-N 1 0 264.369 1.857 20 70 CDIDRO C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160215967 378556889 /nfs/dbraw/zinc/55/68/89/378556889.db2.gz RHMIDRRDVYGPCD-WCQYABFASA-N 1 0 264.344 1.954 20 70 CDIDRO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159529244 390940153 /nfs/dbraw/zinc/94/01/53/390940153.db2.gz MOKACTRQKNDJRC-CHWSQXEVSA-N 1 0 264.369 1.943 20 70 CDIDRO COc1ccc2nc(C(=O)N3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000160266682 533342979 /nfs/dbraw/zinc/34/29/79/533342979.db2.gz PHWNXLRQTHHGCJ-GFCCVEGCSA-N 1 0 285.347 1.807 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161021854 391579122 /nfs/dbraw/zinc/57/91/22/391579122.db2.gz TYGZJYNOYVNVMO-KDDOJWQBSA-N 1 0 268.307 1.920 20 70 CDIDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000218101582 130766679 /nfs/dbraw/zinc/76/66/79/130766679.db2.gz VGLBUKDXBYWJJC-ZDUSSCGKSA-N 1 0 257.337 1.926 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000160190019 147711180 /nfs/dbraw/zinc/71/11/80/147711180.db2.gz DNAUMZIDVOHAFO-NSHDSACASA-N 1 0 266.316 1.544 20 70 CDIDRO CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C)C1 ZINC000161314043 147730258 /nfs/dbraw/zinc/73/02/58/147730258.db2.gz VURZJUXMMUFTIA-UONOGXRCSA-N 1 0 295.427 1.236 20 70 CDIDRO COCC[NH2+]CC(=O)Nc1ncc(C(C)C)s1 ZINC000160896678 277533772 /nfs/dbraw/zinc/53/37/72/277533772.db2.gz ZVDJEWVAIWADOU-UHFFFAOYSA-N 1 0 257.359 1.441 20 70 CDIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@H](O)COC)c1ccccc1 ZINC000159545422 279141381 /nfs/dbraw/zinc/14/13/81/279141381.db2.gz QLXFHIKZYLRRFT-LSDHHAIUSA-N 1 0 294.395 1.193 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)CCCn1cccc1 ZINC000159399506 279874525 /nfs/dbraw/zinc/87/45/25/279874525.db2.gz UNCORQUWENUXKA-UHFFFAOYSA-N 1 0 263.385 1.823 20 70 CDIDRO CS[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159616668 292763048 /nfs/dbraw/zinc/76/30/48/292763048.db2.gz MQQJDGZMLDGLHY-RYUDHWBXSA-N 1 0 273.446 1.912 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000160469436 292787609 /nfs/dbraw/zinc/78/76/09/292787609.db2.gz KRSMDXUFJRCPRD-MASHWEEQSA-N 1 0 288.347 1.291 20 70 CDIDRO CC[C@@H](C(=O)NCC(CC)(CC)CCO)[NH+](C)C ZINC000160910156 292796013 /nfs/dbraw/zinc/79/60/13/292796013.db2.gz OKBIFLCLILZUGX-LBPRGKRZSA-N 1 0 258.406 1.632 20 70 CDIDRO Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160943815 482844413 /nfs/dbraw/zinc/84/44/13/482844413.db2.gz RLBMXNCURFJGHQ-QWHCGFSZSA-N 1 0 262.353 1.760 20 70 CDIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000160991069 482850117 /nfs/dbraw/zinc/85/01/17/482850117.db2.gz XHEIFLBZWAIYBJ-OLZOCXBDSA-N 1 0 299.378 1.575 20 70 CDIDRO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161321137 482873823 /nfs/dbraw/zinc/87/38/23/482873823.db2.gz QCHUSGOEOSQVNB-YNEHKIRRSA-N 1 0 281.400 1.164 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3ccccc3C)CC2)C1 ZINC000160503434 522389365 /nfs/dbraw/zinc/38/93/65/522389365.db2.gz LUHNRGFIPUKDPJ-CYBMUJFWSA-N 1 0 258.365 1.847 20 70 CDIDRO CC[C@H](C(=O)N[C@H]1COc2ccc(C)cc21)[NH+](C)C ZINC000161150698 523794710 /nfs/dbraw/zinc/79/47/10/523794710.db2.gz PPVSEDGTMWKOTC-QWHCGFSZSA-N 1 0 262.353 1.885 20 70 CDIDRO C[C@@]1(C(=O)NC[C@H](O)C2CCCCC2)CCC[NH2+]C1 ZINC000161438619 525799941 /nfs/dbraw/zinc/79/99/41/525799941.db2.gz JDKCCVOKWJTYPP-DZGCQCFKSA-N 1 0 268.401 1.434 20 70 CDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N(C)C)cc2F)C1 ZINC000160129106 527813694 /nfs/dbraw/zinc/81/36/94/527813694.db2.gz FCWUETSYLUVPCY-GFCCVEGCSA-N 1 0 293.386 1.963 20 70 CDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160124883 527815747 /nfs/dbraw/zinc/81/57/47/527815747.db2.gz STBXAHPXLLFUQF-SNVBAGLBSA-N 1 0 289.335 1.193 20 70 CDIDRO CC(C)c1cc(C(=O)NCC2([NH3+])CCCCC2)n(C)n1 ZINC000159726978 528028027 /nfs/dbraw/zinc/02/80/27/528028027.db2.gz QUQQJHAPDGOBMI-UHFFFAOYSA-N 1 0 278.400 1.935 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000161022813 528281088 /nfs/dbraw/zinc/28/10/88/528281088.db2.gz KLFGKKDDMKAVLJ-UHFFFAOYSA-N 1 0 289.379 1.473 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2cccc3c2OCO3)CC1 ZINC000161104343 528288219 /nfs/dbraw/zinc/28/82/19/528288219.db2.gz DJVCXBACUFMEOS-UHFFFAOYSA-N 1 0 290.363 1.877 20 70 CDIDRO CCC(CC)(CNC(=O)NC1CC[NH+](C)CC1)C(=O)OC ZINC000159571391 528673008 /nfs/dbraw/zinc/67/30/08/528673008.db2.gz HXUMMIAIOMWTNF-UHFFFAOYSA-N 1 0 299.415 1.359 20 70 CDIDRO C[C@@H](O)C[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000159807918 361870625 /nfs/dbraw/zinc/87/06/25/361870625.db2.gz QVDFSAQYHZBMTA-GFCCVEGCSA-N 1 0 254.349 1.570 20 70 CDIDRO C[C@@H](C(=O)N1CCC(O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000159885113 361892933 /nfs/dbraw/zinc/89/29/33/361892933.db2.gz MCMRKCZSSYSAEA-UTUOFQBUSA-N 1 0 254.374 1.231 20 70 CDIDRO Cn1cc(C[C@@H]2CC[N@H+](CCn3ccnc3)C2)cn1 ZINC000159865937 361887858 /nfs/dbraw/zinc/88/78/58/361887858.db2.gz FBUPPJPFZICZAS-ZDUSSCGKSA-N 1 0 259.357 1.181 20 70 CDIDRO O=C([C@H]1CC[NH2+]C1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161221878 361929824 /nfs/dbraw/zinc/92/98/24/361929824.db2.gz SVZNRESMFHSBAD-JSGCOSHPSA-N 1 0 266.385 1.546 20 70 CDIDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000161330950 539117551 /nfs/dbraw/zinc/11/75/51/539117551.db2.gz WDRPYWCMAMAZOD-AWEZNQCLSA-N 1 0 272.352 1.868 20 70 CDIDRO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159645590 342367788 /nfs/dbraw/zinc/36/77/88/342367788.db2.gz QEXDYDGSIPAIHJ-STQMWFEESA-N 1 0 281.400 1.733 20 70 CDIDRO CCn1nc(C[NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160754045 362489051 /nfs/dbraw/zinc/48/90/51/362489051.db2.gz ZTFRRNCLUGXGQN-UHFFFAOYSA-N 1 0 286.379 1.672 20 70 CDIDRO O=C(Cc1ccccc1Br)NC[C@@H]1CC[NH2+]C1 ZINC000217256666 344840686 /nfs/dbraw/zinc/84/06/86/344840686.db2.gz ROGODJYNSBNFGG-SNVBAGLBSA-N 1 0 297.196 1.717 20 70 CDIDRO C[C@@H](CCO)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000160222817 345648181 /nfs/dbraw/zinc/64/81/81/345648181.db2.gz UOZBCFFOEGNVMZ-RYUDHWBXSA-N 1 0 273.421 1.423 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159635213 363091076 /nfs/dbraw/zinc/09/10/76/363091076.db2.gz WSYKPJZRQNTGKM-GHMZBOCLSA-N 1 0 271.430 1.521 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160300663 188464510 /nfs/dbraw/zinc/46/45/10/188464510.db2.gz KULJVHXCRYMIRE-LLVKDONJSA-N 1 0 257.293 1.515 20 70 CDIDRO Cn1ccnc1SCc1ccc(C(=O)NCCC[NH3+])o1 ZINC000160032814 188451823 /nfs/dbraw/zinc/45/18/23/188451823.db2.gz PDNAFIDEZMRVII-UHFFFAOYSA-N 1 0 294.380 1.384 20 70 CDIDRO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160515741 188477347 /nfs/dbraw/zinc/47/73/47/188477347.db2.gz UJCZBYOMRXUTGX-NEPJUHHUSA-N 1 0 289.379 1.763 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1F ZINC000160357208 188468093 /nfs/dbraw/zinc/46/80/93/188468093.db2.gz IHLMZLLKBARVDZ-VHSXEESVSA-N 1 0 293.342 1.593 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](O)c2ccsc2)C1 ZINC000160441818 188472607 /nfs/dbraw/zinc/47/26/07/188472607.db2.gz STGHEBJBYAMWCG-INTQDDNPSA-N 1 0 254.355 1.025 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000160572090 188481369 /nfs/dbraw/zinc/48/13/69/188481369.db2.gz WFWZXROQBPDNBA-SNVBAGLBSA-N 1 0 289.310 1.101 20 70 CDIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161510662 188531958 /nfs/dbraw/zinc/53/19/58/188531958.db2.gz GTUXJOOXYNRBHW-IVMMDQJWSA-N 1 0 276.380 1.614 20 70 CDIDRO C[C@H](CNC(=O)C1CCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000159842769 363372006 /nfs/dbraw/zinc/37/20/06/363372006.db2.gz NZJYELRTUGCSSW-CQSZACIVSA-N 1 0 295.471 1.955 20 70 CDIDRO COc1ccc(C)cc1/C=C/C(=O)N1CC[NH2+]CC1 ZINC000159418218 358504972 /nfs/dbraw/zinc/50/49/72/358504972.db2.gz GVZDZKQHVJUJKG-GQCTYLIASA-N 1 0 260.337 1.449 20 70 CDIDRO COc1ccc(COCCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160004304 482776810 /nfs/dbraw/zinc/77/68/10/482776810.db2.gz SFDCEKBYYQGLEN-UHFFFAOYSA-N 1 0 280.368 1.455 20 70 CDIDRO COC(C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)OC ZINC000160662304 357608612 /nfs/dbraw/zinc/60/86/12/357608612.db2.gz LRXVCJDNGLGMNU-LLVKDONJSA-N 1 0 288.388 1.594 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000160231354 360782736 /nfs/dbraw/zinc/78/27/36/360782736.db2.gz IJLHATVBWCREKW-CABCVRRESA-N 1 0 291.370 1.350 20 70 CDIDRO COC(=O)C(C)(C)CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000160809288 361074111 /nfs/dbraw/zinc/07/41/11/361074111.db2.gz DGPNJXBPDCNUKL-CYBMUJFWSA-N 1 0 290.363 1.016 20 70 CDIDRO O=C(CCn1cnc2ccccc21)N1CCC[NH2+]CC1 ZINC000160833817 361319626 /nfs/dbraw/zinc/31/96/26/361319626.db2.gz JJLOKVSENONDOJ-UHFFFAOYSA-N 1 0 272.352 1.248 20 70 CDIDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000160245323 363792881 /nfs/dbraw/zinc/79/28/81/363792881.db2.gz ABXNTOCPTSYINH-ZFWWWQNUSA-N 1 0 259.353 1.903 20 70 CDIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159520143 361727258 /nfs/dbraw/zinc/72/72/58/361727258.db2.gz MBOLGCBFRPBJCI-DZGCQCFKSA-N 1 0 298.390 1.958 20 70 CDIDRO CCc1nnsc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161347437 482874528 /nfs/dbraw/zinc/87/45/28/482874528.db2.gz LVJVIAVJZXDVPJ-HTQZYQBOSA-N 1 0 254.359 1.100 20 70 CDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160320514 363815607 /nfs/dbraw/zinc/81/56/07/363815607.db2.gz IAQPBYZMSCARSW-HIFRSBDPSA-N 1 0 283.416 1.417 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000159424667 364204366 /nfs/dbraw/zinc/20/43/66/364204366.db2.gz GNBICDKBEQVICB-RYUDHWBXSA-N 1 0 282.359 1.485 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccccc1C ZINC000159844541 364273214 /nfs/dbraw/zinc/27/32/14/364273214.db2.gz KYWDUUHNUWTFDP-OLZOCXBDSA-N 1 0 282.409 1.225 20 70 CDIDRO CC(C)COc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160234402 364323370 /nfs/dbraw/zinc/32/33/70/364323370.db2.gz YQJYVSNGWSQLBT-CQSZACIVSA-N 1 0 276.380 1.824 20 70 CDIDRO COc1cc(CCNC(=O)[C@@H]2CCC[NH2+]C2)ccc1C ZINC000160322486 364336716 /nfs/dbraw/zinc/33/67/16/364336716.db2.gz DDHRYRURZWPMOJ-CQSZACIVSA-N 1 0 276.380 1.662 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1F ZINC000160357070 364338776 /nfs/dbraw/zinc/33/87/76/364338776.db2.gz IHLMZLLKBARVDZ-NXEZZACHSA-N 1 0 293.342 1.593 20 70 CDIDRO Cc1ccc(C(=O)CCN2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000160067481 364301831 /nfs/dbraw/zinc/30/18/31/364301831.db2.gz GJOCTRJOULYTAS-CQSZACIVSA-N 1 0 287.363 1.277 20 70 CDIDRO CCn1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461111 364356016 /nfs/dbraw/zinc/35/60/16/364356016.db2.gz POQYKISCLBYJRZ-GXFFZTMASA-N 1 0 274.372 1.469 20 70 CDIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnn(C)c1 ZINC000160524689 364366277 /nfs/dbraw/zinc/36/62/77/364366277.db2.gz RODIFXNPPVIFQT-VIFPVBQESA-N 1 0 278.278 1.139 20 70 CDIDRO CC[C@@H](C)OCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000160872716 364422658 /nfs/dbraw/zinc/42/26/58/364422658.db2.gz PGWYQONPHMCXCL-LLVKDONJSA-N 1 0 265.357 1.897 20 70 CDIDRO COc1cc(OC)c(NC(=O)C[NH2+]CC2CC2)cc1F ZINC000161209972 364464244 /nfs/dbraw/zinc/46/42/44/364464244.db2.gz CLQZMGGHKLPZJT-UHFFFAOYSA-N 1 0 282.315 1.781 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000161198832 367580899 /nfs/dbraw/zinc/58/08/99/367580899.db2.gz IOAOPFQJVYIQOW-GHMZBOCLSA-N 1 0 298.333 1.943 20 70 CDIDRO CC(C)C[C@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000161079689 377131434 /nfs/dbraw/zinc/13/14/34/377131434.db2.gz HRZLQBYTQIDJAE-UONOGXRCSA-N 1 0 270.417 1.774 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000160741829 533038782 /nfs/dbraw/zinc/03/87/82/533038782.db2.gz PEOCXKIKFDKHSZ-NSHDSACASA-N 1 0 288.351 1.780 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000161138095 391350014 /nfs/dbraw/zinc/35/00/14/391350014.db2.gz DEXCYUDPVPZONC-MNOVXSKESA-N 1 0 283.759 1.313 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000159960295 139908413 /nfs/dbraw/zinc/90/84/13/139908413.db2.gz IUSPQWMRBQHWJN-NSHDSACASA-N 1 0 290.335 1.323 20 70 CDIDRO CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000217538283 140163232 /nfs/dbraw/zinc/16/32/32/140163232.db2.gz ZXMGDBYGFRJWRZ-LBPRGKRZSA-N 1 0 289.445 1.166 20 70 CDIDRO CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000217948480 140164499 /nfs/dbraw/zinc/16/44/99/140164499.db2.gz GMNJCXRMFHKXEG-HZPDHXFCSA-N 1 0 287.407 1.644 20 70 CDIDRO CCc1nnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1CC ZINC000218132705 140164997 /nfs/dbraw/zinc/16/49/97/140164997.db2.gz JMEQYVLBXWQURJ-QWRGUYRKSA-N 1 0 263.389 1.891 20 70 CDIDRO COCCC1(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161481085 292286255 /nfs/dbraw/zinc/28/62/55/292286255.db2.gz IRRSUDBBDLBAKP-GFCCVEGCSA-N 1 0 254.374 1.356 20 70 CDIDRO CCC[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161188167 260965895 /nfs/dbraw/zinc/96/58/95/260965895.db2.gz QXGDFEWJPTYRLK-CYBMUJFWSA-N 1 0 254.374 1.546 20 70 CDIDRO CC(C)[C@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161187906 264272198 /nfs/dbraw/zinc/27/21/98/264272198.db2.gz ZNYRIVYLVHQWHG-LBPRGKRZSA-N 1 0 271.405 1.129 20 70 CDIDRO CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217754751 280089258 /nfs/dbraw/zinc/08/92/58/280089258.db2.gz TYQPVPKVUWPXNV-UXIGCNINSA-N 1 0 292.379 1.374 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161158683 295376943 /nfs/dbraw/zinc/37/69/43/295376943.db2.gz IYTUSAAABDVSDW-ABAIWWIYSA-N 1 0 296.342 1.280 20 70 CDIDRO CC(C)c1cc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)on1 ZINC000160148922 482785695 /nfs/dbraw/zinc/78/56/95/482785695.db2.gz XJIBNEKFEPRYTR-AWEZNQCLSA-N 1 0 287.363 1.984 20 70 CDIDRO COc1ccc(OC)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161362237 482874726 /nfs/dbraw/zinc/87/47/26/482874726.db2.gz WCFSOPPGYBMHAZ-GHMZBOCLSA-N 1 0 278.352 1.704 20 70 CDIDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159664756 523762849 /nfs/dbraw/zinc/76/28/49/523762849.db2.gz BTVJBCRPYNHECW-HUUCEWRRSA-N 1 0 295.427 1.585 20 70 CDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1CO ZINC000160891182 527043818 /nfs/dbraw/zinc/04/38/18/527043818.db2.gz IBHKZAIQMHFDTA-JSGCOSHPSA-N 1 0 281.400 1.170 20 70 CDIDRO O=C(/C=C/c1cncc(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160594490 527647230 /nfs/dbraw/zinc/64/72/30/527647230.db2.gz UVYNTCQWXWSCDO-TWRSITDPSA-N 1 0 275.327 1.587 20 70 CDIDRO CCC[C@H]1CN(Cc2nnc(CC)[nH]2)CC[N@@H+]1CCOC ZINC000160192904 362051001 /nfs/dbraw/zinc/05/10/01/362051001.db2.gz YVDRGHSLBKZSHB-ZDUSSCGKSA-N 1 0 295.431 1.300 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CCOCC1 ZINC000160826482 342377984 /nfs/dbraw/zinc/37/79/84/342377984.db2.gz RFPBLUBTHHNGGS-WBMJQRKESA-N 1 0 288.391 1.805 20 70 CDIDRO C[C@@H](C[NH3+])CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000216872695 342439359 /nfs/dbraw/zinc/43/93/59/342439359.db2.gz AUIAWESALDOVSQ-FTPDJBBVSA-N 1 0 265.401 1.705 20 70 CDIDRO [NH3+][C@H]1C[C@H](NCCNC(=O)C2CC2)c2ccccc21 ZINC000160703679 362474407 /nfs/dbraw/zinc/47/44/07/362474407.db2.gz AIIKSOLLALCJJI-KBPBESRZSA-N 1 0 259.353 1.247 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N[C@@H](C)C(C)C)C(=O)OC ZINC000159657694 363147065 /nfs/dbraw/zinc/14/70/65/363147065.db2.gz KEVHWECQRBRSKY-LBPRGKRZSA-N 1 0 286.416 1.716 20 70 CDIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CO ZINC000159940710 363469533 /nfs/dbraw/zinc/46/95/33/363469533.db2.gz LFUNUBMEOYYWDO-CYBMUJFWSA-N 1 0 259.353 1.990 20 70 CDIDRO Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)c[nH]c1=O ZINC000159488005 358642531 /nfs/dbraw/zinc/64/25/31/358642531.db2.gz XOAMTVIXYOMLFQ-UHFFFAOYSA-N 1 0 263.341 1.354 20 70 CDIDRO COCCC1(CNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000161083421 237191120 /nfs/dbraw/zinc/19/11/20/237191120.db2.gz USEZAXLJJBZSAT-UHFFFAOYSA-N 1 0 295.427 1.540 20 70 CDIDRO O=C(N[C@H]1CCCC[C@@H]1n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000161218002 237194434 /nfs/dbraw/zinc/19/44/34/237194434.db2.gz LNZWLWLPEAQTJE-AGIUHOORSA-N 1 0 262.357 1.093 20 70 CDIDRO COC(=O)c1csc(NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000160726587 360833495 /nfs/dbraw/zinc/83/34/95/360833495.db2.gz ANLVZEOBRNEUHC-UHFFFAOYSA-N 1 0 299.396 1.996 20 70 CDIDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[NH2+]CC1 ZINC000159402881 361688233 /nfs/dbraw/zinc/68/82/33/361688233.db2.gz LETIIQDITFKSAJ-CQSZACIVSA-N 1 0 288.391 1.937 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000159428582 361696114 /nfs/dbraw/zinc/69/61/14/361696114.db2.gz BSCHTIRCPKVKJI-MFKMUULPSA-N 1 0 250.317 1.955 20 70 CDIDRO O=C(c1ccc(OCc2ccccn2)cc1)N1CC[NH2+]CC1 ZINC000159419283 361699360 /nfs/dbraw/zinc/69/93/60/361699360.db2.gz BLSIOBNVXZNWFN-UHFFFAOYSA-N 1 0 297.358 1.706 20 70 CDIDRO CC1(C)Cc2cc(CN3CCC[C@H]3C(N)=O)ccc2O1 ZINC000160325775 363817133 /nfs/dbraw/zinc/81/71/33/363817133.db2.gz PGIKRWIMXBVFEC-ZDUSSCGKSA-N 1 0 274.364 1.850 20 70 CDIDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159501076 364222457 /nfs/dbraw/zinc/22/24/57/364222457.db2.gz IBZOAXQKGIIUJS-CHWSQXEVSA-N 1 0 264.369 1.943 20 70 CDIDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cn1 ZINC000159449701 364207398 /nfs/dbraw/zinc/20/73/98/364207398.db2.gz SLRIPKYCKWNBAS-STQMWFEESA-N 1 0 250.342 1.683 20 70 CDIDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2)CCCCC1 ZINC000159494687 364218388 /nfs/dbraw/zinc/21/83/88/364218388.db2.gz HLLNTHZDHWWEPX-UHFFFAOYSA-N 1 0 275.352 1.403 20 70 CDIDRO NC(=O)c1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626422 364242671 /nfs/dbraw/zinc/24/26/71/364242671.db2.gz CPCRYUINIJIZDV-KKUMJFAQSA-N 1 0 286.375 1.833 20 70 CDIDRO C[C@H](C(=O)Nc1nccs1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159636930 364244506 /nfs/dbraw/zinc/24/45/06/364244506.db2.gz LYUBGTGRTYYMOV-VWYCJHECSA-N 1 0 283.397 1.563 20 70 CDIDRO Cc1cc(C)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160254475 364325650 /nfs/dbraw/zinc/32/56/50/364325650.db2.gz QWYHEGSUMLYYJS-MRXNPFEDSA-N 1 0 290.407 1.880 20 70 CDIDRO CCc1ncnc(N2CC[NH+](C3CCOCC3)CC2)c1F ZINC000160307982 364331807 /nfs/dbraw/zinc/33/18/07/364331807.db2.gz HDZIWRNAIJBWNX-UHFFFAOYSA-N 1 0 294.374 1.479 20 70 CDIDRO COC(CN1CCO[C@H](c2ccccc2)C1)OC ZINC000160534003 364368031 /nfs/dbraw/zinc/36/80/31/364368031.db2.gz JUDWHMVODFFERX-ZDUSSCGKSA-N 1 0 251.326 1.679 20 70 CDIDRO COCC[N@H+](C)CCNC(=O)COc1cc(C)ccc1F ZINC000161175621 364459845 /nfs/dbraw/zinc/45/98/45/364459845.db2.gz FLQKOVSPYWTANN-UHFFFAOYSA-N 1 0 298.358 1.207 20 70 CDIDRO CCc1ncc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cn1 ZINC000161145762 364454560 /nfs/dbraw/zinc/45/45/60/364454560.db2.gz JXLKMPVURYRZRM-GFCCVEGCSA-N 1 0 291.399 1.845 20 70 CDIDRO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160916668 364427943 /nfs/dbraw/zinc/42/79/43/364427943.db2.gz RXPDLVWQJDDTAK-LBPRGKRZSA-N 1 0 279.315 1.418 20 70 CDIDRO CC[C@@H](COC)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000161214267 364463691 /nfs/dbraw/zinc/46/36/91/364463691.db2.gz NDYSHUYKXUGNHU-OCCSQVGLSA-N 1 0 264.369 1.706 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1 ZINC000161330736 364479716 /nfs/dbraw/zinc/47/97/16/364479716.db2.gz VDCBAQVGHWWANF-NWDGAFQWSA-N 1 0 292.383 1.760 20 70 CDIDRO COCC[N@H+](C)CCNC(=O)c1cnc(C(C)C)s1 ZINC000161452087 364494652 /nfs/dbraw/zinc/49/46/52/364494652.db2.gz JWVCFCCDUMKOSU-UHFFFAOYSA-N 1 0 285.413 1.575 20 70 CDIDRO O=C(Cc1noc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160691584 370802272 /nfs/dbraw/zinc/80/22/72/370802272.db2.gz FBLNPHRPBWGPNF-TXEJJXNPSA-N 1 0 285.347 1.723 20 70 CDIDRO CC(C)C[NH+]1CCC(NCc2cccc(C(N)=O)c2)CC1 ZINC000218097046 367261009 /nfs/dbraw/zinc/26/10/09/367261009.db2.gz RTEBPFGVTIRVHW-UHFFFAOYSA-N 1 0 289.423 1.996 20 70 CDIDRO CC(C)[C@H](CNC(=O)[C@H]1CCCCO1)N1CCOCC1 ZINC000160628078 370606868 /nfs/dbraw/zinc/60/68/68/370606868.db2.gz MBZXMLQGDYHZRU-UONOGXRCSA-N 1 0 284.400 1.029 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000217754133 541983504 /nfs/dbraw/zinc/98/35/04/541983504.db2.gz WEGAQGJCAJBCGM-GLQYFDAESA-N 1 0 290.407 1.884 20 70 CDIDRO COC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000217363389 375626320 /nfs/dbraw/zinc/62/63/20/375626320.db2.gz CMDTWMDGBHIRJC-JQWIXIFHSA-N 1 0 276.340 1.302 20 70 CDIDRO COC(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000161491211 375610392 /nfs/dbraw/zinc/61/03/92/375610392.db2.gz FPSUINJKUQOTMV-NSHDSACASA-N 1 0 276.336 1.862 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000161114414 377157079 /nfs/dbraw/zinc/15/70/79/377157079.db2.gz CNYITJCEMWUEMP-XQQFMLRXSA-N 1 0 268.401 1.824 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCNC(=O)c2ccsc2)C1 ZINC000160560432 532956481 /nfs/dbraw/zinc/95/64/81/532956481.db2.gz HNIQFHDIQGHEQM-GFCCVEGCSA-N 1 0 295.408 1.078 20 70 CDIDRO COC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000159436379 285229421 /nfs/dbraw/zinc/22/94/21/285229421.db2.gz AHHGFRWONIRDPP-CABCVRRESA-N 1 0 297.443 1.831 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000159473485 390975353 /nfs/dbraw/zinc/97/53/53/390975353.db2.gz YGDKYYRJHKENSG-SGMGOOAPSA-N 1 0 292.379 1.328 20 70 CDIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)[C@@H]1CCOC1 ZINC000160509139 391528971 /nfs/dbraw/zinc/52/89/71/391528971.db2.gz FNGLPUFAFNPWGG-UPJWGTAASA-N 1 0 264.373 1.306 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc(C(N)=O)c1 ZINC000218185650 140165503 /nfs/dbraw/zinc/16/55/03/140165503.db2.gz NJQDQFOFAUFENJ-GFCCVEGCSA-N 1 0 263.385 1.605 20 70 CDIDRO Cn1cnc2cc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cnc21 ZINC000160171161 147711606 /nfs/dbraw/zinc/71/16/06/147711606.db2.gz HIJXZCDVEJEWSX-CYBMUJFWSA-N 1 0 287.367 1.038 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH3+])[C@@H](C)CO1 ZINC000161467892 292657535 /nfs/dbraw/zinc/65/75/35/292657535.db2.gz VBWJZMQXVUUYKV-JSGCOSHPSA-N 1 0 262.353 1.632 20 70 CDIDRO CCc1ccsc1C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161060985 281469236 /nfs/dbraw/zinc/46/92/36/281469236.db2.gz QLCCOZZYVHCESU-NEPJUHHUSA-N 1 0 282.409 1.889 20 70 CDIDRO C[C@@H](C(=O)NCC(F)(F)F)N1CCC(CC[NH3+])CC1 ZINC000159871055 482754327 /nfs/dbraw/zinc/75/43/27/482754327.db2.gz AQPGGTXTDKIIRC-VIFPVBQESA-N 1 0 281.322 1.114 20 70 CDIDRO CCCn1nccc1C[NH2+]Cc1ccc(OC)nc1 ZINC000159988322 482775057 /nfs/dbraw/zinc/77/50/57/482775057.db2.gz DRYPTMBGQRUZSX-UHFFFAOYSA-N 1 0 260.341 1.987 20 70 CDIDRO Cc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)CO)c(C)c1 ZINC000160162263 482786294 /nfs/dbraw/zinc/78/62/94/482786294.db2.gz FOTLQLHOOYDROL-AWEZNQCLSA-N 1 0 281.396 1.651 20 70 CDIDRO COCCC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000160785568 482825131 /nfs/dbraw/zinc/82/51/31/482825131.db2.gz UBZYAUZMPYXCAU-CHWSQXEVSA-N 1 0 268.401 1.969 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c12 ZINC000160910369 482840043 /nfs/dbraw/zinc/84/00/43/482840043.db2.gz SRPYYBLSKBPCPT-QWRGUYRKSA-N 1 0 288.351 1.839 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161337104 482874904 /nfs/dbraw/zinc/87/49/04/482874904.db2.gz PJYAURLHOCVJAF-MNOVXSKESA-N 1 0 258.325 1.563 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCOC2CCCC2)CC1 ZINC000161371296 519645119 /nfs/dbraw/zinc/64/51/19/519645119.db2.gz JHELZDMSPSTIIC-UHFFFAOYSA-N 1 0 268.401 1.983 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000160398266 519848874 /nfs/dbraw/zinc/84/88/74/519848874.db2.gz IODRENGMGNZAKK-HNNXBMFYSA-N 1 0 298.427 1.516 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160750587 522392556 /nfs/dbraw/zinc/39/25/56/522392556.db2.gz QEGXITFXLJBUMY-GFCCVEGCSA-N 1 0 271.320 1.776 20 70 CDIDRO C[N@H+](CC(N)=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160567163 522590228 /nfs/dbraw/zinc/59/02/28/522590228.db2.gz UDAHSQBOLWOAOX-FOSCPWQOSA-N 1 0 297.399 1.334 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160434368 523579849 /nfs/dbraw/zinc/57/98/49/523579849.db2.gz SVQFWSXNWBHMIV-ZIAGYGMSSA-N 1 0 270.417 1.897 20 70 CDIDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160415071 523863990 /nfs/dbraw/zinc/86/39/90/523863990.db2.gz MFDNWACZEPHNCM-LLVKDONJSA-N 1 0 261.325 1.575 20 70 CDIDRO CN(C)C(=O)C[NH2+]Cc1cncc(Br)c1 ZINC000160560652 523993253 /nfs/dbraw/zinc/99/32/53/523993253.db2.gz KLIQAWGZXIPHMV-UHFFFAOYSA-N 1 0 272.146 1.022 20 70 CDIDRO C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160524850 525949320 /nfs/dbraw/zinc/94/93/20/525949320.db2.gz HPKQBUILDMKXQH-FPMFFAJLSA-N 1 0 292.354 1.946 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cc(C)c(C)s2)[C@H](C[NH3+])C1 ZINC000161131139 361876802 /nfs/dbraw/zinc/87/68/02/361876802.db2.gz IFULVFUIJJAQCT-RYUDHWBXSA-N 1 0 282.409 1.943 20 70 CDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157534 361900154 /nfs/dbraw/zinc/90/01/54/361900154.db2.gz YVDOKBGUILWRHW-YWPYICTPSA-N 1 0 294.395 1.952 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000159898507 361903844 /nfs/dbraw/zinc/90/38/44/361903844.db2.gz VPEPMTFBEXSXAP-GFCCVEGCSA-N 1 0 279.388 1.218 20 70 CDIDRO CC(C)[C@H](C)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161325611 539117527 /nfs/dbraw/zinc/11/75/27/539117527.db2.gz VFAKDAJILRFXNB-AWEZNQCLSA-N 1 0 290.411 1.364 20 70 CDIDRO CS(=O)(=O)CCCCN1CC[NH+](C2CCCC2)CC1 ZINC000161373391 539117620 /nfs/dbraw/zinc/11/76/20/539117620.db2.gz NQDVUOGTOWIFJK-UHFFFAOYSA-N 1 0 288.457 1.371 20 70 CDIDRO CCn1nc(C)c(NC(=O)CC[NH2+]C(C)C)c1C ZINC000161384497 342406077 /nfs/dbraw/zinc/40/60/77/342406077.db2.gz KJTYQAWOHUYXLF-UHFFFAOYSA-N 1 0 252.362 1.846 20 70 CDIDRO COCCN(C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000159378061 136391607 /nfs/dbraw/zinc/39/16/07/136391607.db2.gz GCIMNXQCXAJBMM-UHFFFAOYSA-N 1 0 291.439 1.823 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159554105 362303976 /nfs/dbraw/zinc/30/39/76/362303976.db2.gz FSRSOYBUCSTCKH-AWEZNQCLSA-N 1 0 289.379 1.296 20 70 CDIDRO CCOCCC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159398989 362318473 /nfs/dbraw/zinc/31/84/73/362318473.db2.gz QOAWCKCXLDWXHD-CYBMUJFWSA-N 1 0 292.445 1.207 20 70 CDIDRO CO[C@@]1(C[NH2+]Cc2cnc3ccccc3n2)CCOC1 ZINC000160142403 362398327 /nfs/dbraw/zinc/39/83/27/362398327.db2.gz ATMDJYSHCBSKOR-OAHLLOKOSA-N 1 0 273.336 1.525 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000161385467 362915678 /nfs/dbraw/zinc/91/56/78/362915678.db2.gz DAOOKLMOYMRLGI-RISCZKNCSA-N 1 0 292.427 1.426 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000159664182 363169734 /nfs/dbraw/zinc/16/97/34/363169734.db2.gz PTZXEWIEYDPRTB-LBPRGKRZSA-N 1 0 290.323 1.633 20 70 CDIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCC(C)(C)C ZINC000159685725 363191294 /nfs/dbraw/zinc/19/12/94/363191294.db2.gz ZTBKWWNNPRPEOY-UHFFFAOYSA-N 1 0 283.460 1.909 20 70 CDIDRO [NH3+]CCCNC(=O)c1csc(-c2cccs2)n1 ZINC000160165598 188458154 /nfs/dbraw/zinc/45/81/54/188458154.db2.gz LEQZOIJKVRWSRO-UHFFFAOYSA-N 1 0 267.379 1.950 20 70 CDIDRO CN1CCO[C@@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871073 363387306 /nfs/dbraw/zinc/38/73/06/363387306.db2.gz TVBLAULFHIAMGO-CHWSQXEVSA-N 1 0 281.400 1.291 20 70 CDIDRO CS[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160665829 358986607 /nfs/dbraw/zinc/98/66/07/358986607.db2.gz GJRZQEIMNUINGJ-QWRGUYRKSA-N 1 0 256.415 1.729 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000160588667 237183034 /nfs/dbraw/zinc/18/30/34/237183034.db2.gz BHNKYEIUUWWONT-CYBMUJFWSA-N 1 0 294.370 1.711 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000161332783 237194464 /nfs/dbraw/zinc/19/44/64/237194464.db2.gz GLTWZDGTVSQPPA-NSHDSACASA-N 1 0 278.356 1.384 20 70 CDIDRO OCC1(C[NH2+]C[C@H](O)COCc2ccccc2)CCCC1 ZINC000160156077 363690421 /nfs/dbraw/zinc/69/04/21/363690421.db2.gz RSJKHYZHEQCFMB-INIZCTEOSA-N 1 0 293.407 1.706 20 70 CDIDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160700475 360782960 /nfs/dbraw/zinc/78/29/60/360782960.db2.gz RMQBUHYARIWTKD-INIZCTEOSA-N 1 0 297.443 1.806 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H](C)O ZINC000159501776 361729224 /nfs/dbraw/zinc/72/92/24/361729224.db2.gz GVGOXXKNWQEANH-RISCZKNCSA-N 1 0 280.368 1.725 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000160588780 364066959 /nfs/dbraw/zinc/06/69/59/364066959.db2.gz KVXOKPWMYTYAMQ-QWHCGFSZSA-N 1 0 254.374 1.260 20 70 CDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CN(C)C ZINC000159371113 364193294 /nfs/dbraw/zinc/19/32/94/364193294.db2.gz VQXCUZFTEBGLFK-HIFRSBDPSA-N 1 0 275.396 1.185 20 70 CDIDRO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH2+]CC3)c12 ZINC000159444341 364207458 /nfs/dbraw/zinc/20/74/58/364207458.db2.gz FBBYCLXMZVGETB-UHFFFAOYSA-N 1 0 286.335 1.454 20 70 CDIDRO COc1cc(C)cc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000159566884 364234743 /nfs/dbraw/zinc/23/47/43/364234743.db2.gz ROPFUOKYMAXHQK-UHFFFAOYSA-N 1 0 291.395 1.897 20 70 CDIDRO CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159818065 364270244 /nfs/dbraw/zinc/27/02/44/364270244.db2.gz WQFGPGWJAWRZPY-BYCMXARLSA-N 1 0 276.380 1.224 20 70 CDIDRO C[N@H+](CCn1ccnc1)C[C@@H](O)COCc1ccccc1 ZINC000159818435 364270258 /nfs/dbraw/zinc/27/02/58/364270258.db2.gz HNIYUSBGVFZGES-MRXNPFEDSA-N 1 0 289.379 1.393 20 70 CDIDRO Cc1cnc([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC000159822704 364270303 /nfs/dbraw/zinc/27/03/03/364270303.db2.gz IXJHYNKHWFHMPO-KOLCDFICSA-N 1 0 267.398 1.765 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000160141512 364310622 /nfs/dbraw/zinc/31/06/22/364310622.db2.gz KNBJEEFYAFVLLG-CYBMUJFWSA-N 1 0 288.326 1.575 20 70 CDIDRO CC[N@H+](C)CCNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000160503751 364362912 /nfs/dbraw/zinc/36/29/12/364362912.db2.gz KFOLQAPYLBXRDT-UHFFFAOYSA-N 1 0 281.356 1.100 20 70 CDIDRO CC[C@@H](C)CS(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000161008831 364438893 /nfs/dbraw/zinc/43/88/93/364438893.db2.gz VWGRNXMNUYHVGL-LLVKDONJSA-N 1 0 283.397 1.714 20 70 CDIDRO CC[C@H](COC)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000161214377 364463736 /nfs/dbraw/zinc/46/37/36/364463736.db2.gz NDYSHUYKXUGNHU-TZMCWYRMSA-N 1 0 264.369 1.706 20 70 CDIDRO COC(=O)c1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)ccc1C ZINC000161490428 364501836 /nfs/dbraw/zinc/50/18/36/364501836.db2.gz TUTGNEZRSBBZHC-GFCCVEGCSA-N 1 0 292.335 1.099 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCn1cnc2ccccc21 ZINC000161214834 367634887 /nfs/dbraw/zinc/63/48/87/367634887.db2.gz GDRSLZZMJZRNSL-CYBMUJFWSA-N 1 0 286.379 1.637 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000161311876 369834649 /nfs/dbraw/zinc/83/46/49/369834649.db2.gz DTILDFHXBICGRB-NEPJUHHUSA-N 1 0 276.384 1.044 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161364442 373509744 /nfs/dbraw/zinc/50/97/44/373509744.db2.gz CUXXNZAJNKEQHP-BXKDBHETSA-N 1 0 265.357 1.338 20 70 CDIDRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C[NH2+]CC1CC1 ZINC000161468789 375429183 /nfs/dbraw/zinc/42/91/83/375429183.db2.gz NPZRXAABEDGYTG-FQEVSTJZSA-N 1 0 294.420 1.382 20 70 CDIDRO COC(=O)c1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1C ZINC000161488535 375615926 /nfs/dbraw/zinc/61/59/26/375615926.db2.gz ILSGEBHHZXUSPS-CYBMUJFWSA-N 1 0 276.336 1.862 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CSC[C@@H]1CCCCO1 ZINC000160071550 377000448 /nfs/dbraw/zinc/00/04/48/377000448.db2.gz QWRDEKKPKXLLMT-JTQLQIEISA-N 1 0 260.403 1.142 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCCOC1CCCCCC1 ZINC000160088596 377002333 /nfs/dbraw/zinc/00/23/33/377002333.db2.gz ZORYFLVQDTVCEY-ZDUSSCGKSA-N 1 0 288.457 1.922 20 70 CDIDRO CCO[C@H]1C[C@@H](N(C)C(=O)C2(OC)CC[NH2+]CC2)C1(C)C ZINC000160504422 377082074 /nfs/dbraw/zinc/08/20/74/377082074.db2.gz VEOHZPNJOHHESA-OLZOCXBDSA-N 1 0 298.427 1.417 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2cccc(C)c2)C1 ZINC000160611473 532956699 /nfs/dbraw/zinc/95/66/99/532956699.db2.gz NSNUQFNWOSTPBN-CQSZACIVSA-N 1 0 276.380 1.974 20 70 CDIDRO COc1ccc(CC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159801480 139905527 /nfs/dbraw/zinc/90/55/27/139905527.db2.gz SGHQOOUQTDCJNG-CQSZACIVSA-N 1 0 262.353 1.433 20 70 CDIDRO CN(C(=O)Cc1ccc(F)cc1F)[C@H](C[NH3+])C1CC1 ZINC000159891088 139906879 /nfs/dbraw/zinc/90/68/79/139906879.db2.gz CZWJBEAHZRJFEN-CYBMUJFWSA-N 1 0 268.307 1.703 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1F ZINC000160359783 139910000 /nfs/dbraw/zinc/91/00/00/139910000.db2.gz PVJTZYMJQJMKLE-SNVBAGLBSA-N 1 0 293.342 1.608 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000161433797 304353213 /nfs/dbraw/zinc/35/32/13/304353213.db2.gz YFQWGFWATGQXRH-GRYCIOLGSA-N 1 0 254.399 1.483 20 70 CDIDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159414167 276075160 /nfs/dbraw/zinc/07/51/60/276075160.db2.gz CUMNOVCFMITQFQ-CYBMUJFWSA-N 1 0 296.436 1.868 20 70 CDIDRO CC[C@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000159568407 288214168 /nfs/dbraw/zinc/21/41/68/288214168.db2.gz FEYFSESQMUTETA-ZDUSSCGKSA-N 1 0 268.401 1.794 20 70 CDIDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccn1 ZINC000159386885 292757482 /nfs/dbraw/zinc/75/74/82/292757482.db2.gz RVARKZDWXAYTTG-QWRGUYRKSA-N 1 0 256.371 1.555 20 70 CDIDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1cscn1 ZINC000159445470 292758729 /nfs/dbraw/zinc/75/87/29/292758729.db2.gz OLCGGHOTFWPTKA-UHFFFAOYSA-N 1 0 298.456 1.915 20 70 CDIDRO COCC(C)(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160241881 292781235 /nfs/dbraw/zinc/78/12/35/292781235.db2.gz OFMNFVFJGNUPFJ-UHFFFAOYSA-N 1 0 256.390 1.648 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)OC)cc2)C1 ZINC000160782958 292794067 /nfs/dbraw/zinc/79/40/67/292794067.db2.gz UKWQDQQLYPZRHO-LBPRGKRZSA-N 1 0 277.324 1.299 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159691163 482742735 /nfs/dbraw/zinc/74/27/35/482742735.db2.gz QGKXGMCXMSUWRL-DTWKUNHWSA-N 1 0 276.262 1.511 20 70 CDIDRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160923509 482840845 /nfs/dbraw/zinc/84/08/45/482840845.db2.gz VPKYGVDVLUWWJZ-PWSUYJOCSA-N 1 0 291.351 1.020 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2cccs2)C1 ZINC000160917954 482840977 /nfs/dbraw/zinc/84/09/77/482840977.db2.gz PHUXRTOYWLFXBP-WDEREUQCSA-N 1 0 295.408 1.254 20 70 CDIDRO CO[C@@H]1CCN(CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195692 523683953 /nfs/dbraw/zinc/68/39/53/523683953.db2.gz WJBWEPGRKHWUSC-DZGCQCFKSA-N 1 0 264.369 1.504 20 70 CDIDRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCCC[NH3+])c1 ZINC000160129944 527606181 /nfs/dbraw/zinc/60/61/81/527606181.db2.gz AOOFHXWMCNKPNJ-UHFFFAOYSA-N 1 0 295.358 1.889 20 70 CDIDRO CCCC[C@H](COC)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000159899021 538846553 /nfs/dbraw/zinc/84/65/53/538846553.db2.gz MHOFSNSSACVHEE-LLVKDONJSA-N 1 0 265.419 1.604 20 70 CDIDRO Cc1ccc(C[NH+]2CCC(c3nncn3C)CC2)nc1 ZINC000159876636 361896507 /nfs/dbraw/zinc/89/65/07/361896507.db2.gz OCDOEROUUIEXAG-UHFFFAOYSA-N 1 0 271.368 1.898 20 70 CDIDRO CCCC[C@H](COC)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000161164924 361897810 /nfs/dbraw/zinc/89/78/10/361897810.db2.gz NJZUUUJAHFEVMJ-CABCVRRESA-N 1 0 278.396 1.878 20 70 CDIDRO CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159920333 361939735 /nfs/dbraw/zinc/93/97/35/361939735.db2.gz GYIKFZONMQDOBN-OWCLPIDISA-N 1 0 287.407 1.642 20 70 CDIDRO CCN(CC[NH2+]Cc1cc(OC)c(O)c(OC)c1)C1CC1 ZINC000217501253 362107009 /nfs/dbraw/zinc/10/70/09/362107009.db2.gz DNZASBRVKFFIJR-UHFFFAOYSA-N 1 0 294.395 1.983 20 70 CDIDRO C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000160148470 342372359 /nfs/dbraw/zinc/37/23/59/342372359.db2.gz CAGKSAKLRKESLM-JHJVBQTASA-N 1 0 254.374 1.531 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000161013369 362480784 /nfs/dbraw/zinc/48/07/84/362480784.db2.gz QJTLPKHRORONCN-CQSZACIVSA-N 1 0 290.411 1.574 20 70 CDIDRO CCOC(=O)CCCCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160429090 346132814 /nfs/dbraw/zinc/13/28/14/346132814.db2.gz JCUHRAVLAQNFQF-ZIAGYGMSSA-N 1 0 296.411 1.710 20 70 CDIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1(C2CC2)CC1 ZINC000159634204 363090205 /nfs/dbraw/zinc/09/02/05/363090205.db2.gz CMPVIQVSYGQWNX-LBPRGKRZSA-N 1 0 277.412 1.960 20 70 CDIDRO Cc1nn(C)cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159628892 188434960 /nfs/dbraw/zinc/43/49/60/188434960.db2.gz KGBGNBTXVGENRE-UHFFFAOYSA-N 1 0 278.400 1.771 20 70 CDIDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159748100 363273270 /nfs/dbraw/zinc/27/32/70/363273270.db2.gz QAKMIYBPKRHCHK-BXUZGUMPSA-N 1 0 277.368 1.403 20 70 CDIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000159855842 363380746 /nfs/dbraw/zinc/38/07/46/363380746.db2.gz NMFUNRDMWJLECS-TZMCWYRMSA-N 1 0 295.427 1.680 20 70 CDIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160878379 358776053 /nfs/dbraw/zinc/77/60/53/358776053.db2.gz ZNTGBYBGNWCRCY-NSHDSACASA-N 1 0 251.374 1.807 20 70 CDIDRO CN(CCC(=O)Nc1ccccc1F)[C@@H](C[NH3+])C1CC1 ZINC000160044505 360426460 /nfs/dbraw/zinc/42/64/60/360426460.db2.gz XEVGFRXNXFMSEC-AWEZNQCLSA-N 1 0 279.359 1.823 20 70 CDIDRO CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000160977267 360463389 /nfs/dbraw/zinc/46/33/89/360463389.db2.gz GKRUKRMOBROJBQ-CABCVRRESA-N 1 0 294.395 1.607 20 70 CDIDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160306755 363818184 /nfs/dbraw/zinc/81/81/84/363818184.db2.gz NZEQKSREWWUMAG-UKRRQHHQSA-N 1 0 283.416 1.275 20 70 CDIDRO CC1CC[NH+](CCNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160305162 363818277 /nfs/dbraw/zinc/81/82/77/363818277.db2.gz NXCYUHAZSSXHPD-OAHLLOKOSA-N 1 0 283.416 1.275 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160582559 364057373 /nfs/dbraw/zinc/05/73/73/364057373.db2.gz MQSFOARMPAJXAC-IHRRRGAJSA-N 1 0 285.432 1.519 20 70 CDIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000160349410 364337597 /nfs/dbraw/zinc/33/75/97/364337597.db2.gz LUBQUCBMLFHBDH-PORFMDCZSA-N 1 0 282.775 1.345 20 70 CDIDRO COC1(C(=O)NCCc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000160591961 364379194 /nfs/dbraw/zinc/37/91/94/364379194.db2.gz SUHLRURBJRSNDZ-UHFFFAOYSA-N 1 0 290.407 1.731 20 70 CDIDRO O=C(C[NH2+]CC1CC1)NCc1cc(=O)[nH]c2ccccc12 ZINC000161047573 364440901 /nfs/dbraw/zinc/44/09/01/364440901.db2.gz IPFVMWGKRLLACB-UHFFFAOYSA-N 1 0 285.347 1.144 20 70 CDIDRO CC[C@H](C(=O)NCCc1nc(C)c(C)s1)[NH+](C)C ZINC000161047122 364441688 /nfs/dbraw/zinc/44/16/88/364441688.db2.gz GALGOIIDRPALDM-LLVKDONJSA-N 1 0 269.414 1.759 20 70 CDIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NOCc1cccnc1 ZINC000161076427 364445196 /nfs/dbraw/zinc/44/51/96/364445196.db2.gz RPZRSACKIMEVEX-CYBMUJFWSA-N 1 0 292.383 1.687 20 70 CDIDRO c1cc(CN2CC[NH+](C[C@H]3CCCCO3)CC2)ccn1 ZINC000161171583 364457992 /nfs/dbraw/zinc/45/79/92/364457992.db2.gz WAEAUQJESFKAII-MRXNPFEDSA-N 1 0 275.396 1.768 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460221 364496395 /nfs/dbraw/zinc/49/63/95/364496395.db2.gz VLQFZBJHMHGDGR-NWDGAFQWSA-N 1 0 295.770 1.299 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CCCC(=O)N(C)C)CC1 ZINC000161026607 365017442 /nfs/dbraw/zinc/01/74/42/365017442.db2.gz ZLCJOIOCJJTSRL-UHFFFAOYSA-N 1 0 283.416 1.093 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000161277491 368153501 /nfs/dbraw/zinc/15/35/01/368153501.db2.gz XMONNQXKGBKPON-VIIAAUOXSA-N 1 0 287.363 1.009 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000161435884 373733693 /nfs/dbraw/zinc/73/36/93/373733693.db2.gz OTPMJWLMDNKGJW-ZIAGYGMSSA-N 1 0 284.363 1.872 20 70 CDIDRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161470124 373756592 /nfs/dbraw/zinc/75/65/92/373756592.db2.gz NCFWONUMNYDXCZ-RBZFPXEDSA-N 1 0 294.420 1.525 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000160841848 376146480 /nfs/dbraw/zinc/14/64/80/376146480.db2.gz PVKPNXUXSPULAV-KBPBESRZSA-N 1 0 262.353 1.632 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000160553918 377087235 /nfs/dbraw/zinc/08/72/35/377087235.db2.gz KGWFTXMBJAGDDP-OLZOCXBDSA-N 1 0 286.416 1.594 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000160554169 377087529 /nfs/dbraw/zinc/08/75/29/377087529.db2.gz KGWFTXMBJAGDDP-CHWSQXEVSA-N 1 0 286.416 1.594 20 70 CDIDRO CCc1ccsc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160713442 377095929 /nfs/dbraw/zinc/09/59/29/377095929.db2.gz PBBZNRNUXBNCHL-UHFFFAOYSA-N 1 0 296.436 1.745 20 70 CDIDRO COC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CC[NH2+]CC1 ZINC000159575988 284676270 /nfs/dbraw/zinc/67/62/70/284676270.db2.gz BMYKSELLHMVVCJ-RYUDHWBXSA-N 1 0 286.441 1.545 20 70 CDIDRO COCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160218208 378562091 /nfs/dbraw/zinc/56/20/91/378562091.db2.gz DJBIRYNZPXLQBA-LLVKDONJSA-N 1 0 298.770 1.538 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000159934988 285213424 /nfs/dbraw/zinc/21/34/24/285213424.db2.gz LDFKDZBVQJYDPM-CZUORRHYSA-N 1 0 297.443 1.927 20 70 CDIDRO O=C1Nc2ccccc2C12CCC([NH2+]CCO)CC2 ZINC000159713536 390976193 /nfs/dbraw/zinc/97/61/93/390976193.db2.gz VJXHSABIZBUMTF-UHFFFAOYSA-N 1 0 260.337 1.401 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000160353438 391508478 /nfs/dbraw/zinc/50/84/78/391508478.db2.gz ZGKALLYEDAUHGQ-ZDUSSCGKSA-N 1 0 254.374 1.404 20 70 CDIDRO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159424223 392476830 /nfs/dbraw/zinc/47/68/30/392476830.db2.gz NGNURQUJWMHPRH-RDBSUJKOSA-N 1 0 268.401 1.480 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)[NH3+])[C@@H](C)CO1 ZINC000161467344 392723125 /nfs/dbraw/zinc/72/31/25/392723125.db2.gz PLRGZSFEYXQAFO-OBJOEFQTSA-N 1 0 262.353 1.631 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(F)ccc1F ZINC000159960447 139908007 /nfs/dbraw/zinc/90/80/07/139908007.db2.gz IUSPQWMRBQHWJN-LLVKDONJSA-N 1 0 290.335 1.323 20 70 CDIDRO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000217614389 140164789 /nfs/dbraw/zinc/16/47/89/140164789.db2.gz OTJYBOBLTVNIHM-KGLIPLIRSA-N 1 0 268.401 1.482 20 70 CDIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000161151455 286858155 /nfs/dbraw/zinc/85/81/55/286858155.db2.gz ABZGRVMADWABPE-WCQYABFASA-N 1 0 280.343 1.851 20 70 CDIDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)N(C)C1CC1 ZINC000218747911 298792325 /nfs/dbraw/zinc/79/23/25/298792325.db2.gz PUEJCLUDZZGXNX-MBNYWOFBSA-N 1 0 288.457 1.415 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc([S@](C)=O)cc1 ZINC000160629129 261220580 /nfs/dbraw/zinc/22/05/80/261220580.db2.gz BVWGGAYITLOTGF-DYZYQPBXSA-N 1 0 255.383 1.846 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000159461290 274266266 /nfs/dbraw/zinc/26/62/66/274266266.db2.gz DJSPWBAUFKTHTE-NEPJUHHUSA-N 1 0 262.353 1.277 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1occc1Br ZINC000161288002 277032939 /nfs/dbraw/zinc/03/29/39/277032939.db2.gz CEIAHVBOSOKBGD-MRVPVSSYSA-N 1 0 287.157 1.866 20 70 CDIDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159420034 279239321 /nfs/dbraw/zinc/23/93/21/279239321.db2.gz SRRIBIYANVNDCI-KGLIPLIRSA-N 1 0 278.396 1.736 20 70 CDIDRO O=C(COC[C@@H]1CCCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159780987 292769009 /nfs/dbraw/zinc/76/90/09/292769009.db2.gz ICJOGNWBOOJAGV-HNNXBMFYSA-N 1 0 296.411 1.173 20 70 CDIDRO NC(=O)CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161256845 292803200 /nfs/dbraw/zinc/80/32/00/292803200.db2.gz VMCZSLHXXDEUJC-UHFFFAOYSA-N 1 0 275.121 1.553 20 70 CDIDRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000218597421 329484841 /nfs/dbraw/zinc/48/48/41/329484841.db2.gz BEIISXPBTDRLDU-GDBMZVCRSA-N 1 0 292.423 1.807 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160947015 482844062 /nfs/dbraw/zinc/84/40/62/482844062.db2.gz CPCXMEJQWMRBBX-KGLIPLIRSA-N 1 0 290.363 1.654 20 70 CDIDRO COCCOC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160481687 523975327 /nfs/dbraw/zinc/97/53/27/523975327.db2.gz OLQSDBHUPQHXGG-UHFFFAOYSA-N 1 0 289.379 1.962 20 70 CDIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccoc1 ZINC000160743586 525553965 /nfs/dbraw/zinc/55/39/65/525553965.db2.gz CODARWZQLVPQMI-WCQYABFASA-N 1 0 288.351 1.859 20 70 CDIDRO Cc1noc([C@H]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000161264990 526669211 /nfs/dbraw/zinc/66/92/11/526669211.db2.gz NHAKEAKQCQFWIL-SWLSCSKDSA-N 1 0 292.383 1.474 20 70 CDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160065325 528251125 /nfs/dbraw/zinc/25/11/25/528251125.db2.gz QIFMAJXMOYWNRJ-DZGCQCFKSA-N 1 0 283.416 1.275 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1 ZINC000159583679 528894958 /nfs/dbraw/zinc/89/49/58/528894958.db2.gz ITTWIIXAOLLYGU-LBPRGKRZSA-N 1 0 273.446 1.864 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCCOc1cccnc1 ZINC000160541992 528925754 /nfs/dbraw/zinc/92/57/54/528925754.db2.gz VHYPIVJGZBEBGK-UHFFFAOYSA-N 1 0 279.384 1.874 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000159669129 361771692 /nfs/dbraw/zinc/77/16/92/361771692.db2.gz FISWMBJZDIPWOT-LBPRGKRZSA-N 1 0 288.363 1.704 20 70 CDIDRO CCCC[C@H](COC)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159653776 361761362 /nfs/dbraw/zinc/76/13/62/361761362.db2.gz UFVIPZUAJNFKRN-GFCCVEGCSA-N 1 0 272.389 1.076 20 70 CDIDRO COCC[N@H+](C)CCNc1nnc(C(F)(F)F)s1 ZINC000160331591 342072979 /nfs/dbraw/zinc/07/29/79/342072979.db2.gz IXFQSWPJWYWNMW-UHFFFAOYSA-N 1 0 284.307 1.547 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000160241374 342073001 /nfs/dbraw/zinc/07/30/01/342073001.db2.gz BASVHKLNKLMVFR-CYBMUJFWSA-N 1 0 267.369 1.749 20 70 CDIDRO CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C(C)C ZINC000159982005 361985618 /nfs/dbraw/zinc/98/56/18/361985618.db2.gz LMYLFRXGILWGBB-UHFFFAOYSA-N 1 0 267.373 1.581 20 70 CDIDRO O=C(NCC[NH2+][C@H]1CCCc2cccnc21)C1CC1 ZINC000160708812 539082490 /nfs/dbraw/zinc/08/24/90/539082490.db2.gz KGXCBGFYEOWREH-ZDUSSCGKSA-N 1 0 259.353 1.575 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](COC)C(C)C)CC1 ZINC000159906751 342370964 /nfs/dbraw/zinc/37/09/64/342370964.db2.gz IUOQHPDRUWYMNG-ZDUSSCGKSA-N 1 0 271.405 1.395 20 70 CDIDRO C[NH2+]CCNCc1ccc(OC)c(Br)c1 ZINC000161258704 362259903 /nfs/dbraw/zinc/25/99/03/362259903.db2.gz BEOQRXZCRQXJED-UHFFFAOYSA-N 1 0 273.174 1.767 20 70 CDIDRO CCN(C)CC[NH2+]Cc1cncc(Br)c1 ZINC000160574596 362448726 /nfs/dbraw/zinc/44/87/26/362448726.db2.gz NMWUAFJDNJSETH-UHFFFAOYSA-N 1 0 272.190 1.885 20 70 CDIDRO C[C@H](CNC(=O)CNc1ccccc1)[NH+]1CCCC1 ZINC000161052110 362533158 /nfs/dbraw/zinc/53/31/58/362533158.db2.gz GVYUDMCKHZOSPT-CYBMUJFWSA-N 1 0 261.369 1.699 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccnc1 ZINC000161322077 362775568 /nfs/dbraw/zinc/77/55/68/362775568.db2.gz FNGQNUBPHLYZFX-RYUDHWBXSA-N 1 0 263.341 1.059 20 70 CDIDRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1N ZINC000161374158 362818483 /nfs/dbraw/zinc/81/84/83/362818483.db2.gz KXDWQUPZWRECDM-UHFFFAOYSA-N 1 0 263.341 1.558 20 70 CDIDRO OC[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161329284 362931074 /nfs/dbraw/zinc/93/10/74/362931074.db2.gz AXZAZKIYQLXYJH-QMMMGPOBSA-N 1 0 278.121 1.031 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159694536 188436920 /nfs/dbraw/zinc/43/69/20/188436920.db2.gz SITAXFNNCUAYKM-RKDXNWHRSA-N 1 0 290.289 1.901 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)CCO2)[C@H](C[NH3+])C1CC1 ZINC000159796442 363315012 /nfs/dbraw/zinc/31/50/12/363315012.db2.gz PBSPRAFNBCHMNX-CYBMUJFWSA-N 1 0 260.337 1.431 20 70 CDIDRO C[C@@H](CNC(=O)C1CCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000159842665 363372165 /nfs/dbraw/zinc/37/21/65/363372165.db2.gz NZJYELRTUGCSSW-AWEZNQCLSA-N 1 0 295.471 1.955 20 70 CDIDRO CN1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871398 363387543 /nfs/dbraw/zinc/38/75/43/363387543.db2.gz TVBLAULFHIAMGO-OLZOCXBDSA-N 1 0 281.400 1.291 20 70 CDIDRO CC(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160761903 358771527 /nfs/dbraw/zinc/77/15/27/358771527.db2.gz JUCFKZCWVHMPGX-HIFRSBDPSA-N 1 0 298.427 1.153 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159494065 358742862 /nfs/dbraw/zinc/74/28/62/358742862.db2.gz FRHRWWKFORIBGP-PELKAZGASA-N 1 0 256.296 1.922 20 70 CDIDRO CCOC[C@@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160065204 363637310 /nfs/dbraw/zinc/63/73/10/363637310.db2.gz QBGGIUXIIAGXEE-CYBMUJFWSA-N 1 0 256.390 1.650 20 70 CDIDRO C[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160966316 360215468 /nfs/dbraw/zinc/21/54/68/360215468.db2.gz DAMVGVJZAPECPS-QUBYGPBYSA-N 1 0 277.151 1.490 20 70 CDIDRO C[NH+]1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160245717 360996579 /nfs/dbraw/zinc/99/65/79/360996579.db2.gz ULJMAPMKEDGCEE-GFCCVEGCSA-N 1 0 295.408 1.819 20 70 CDIDRO Cc1noc(C2CC[NH+](CCOCC3CC3)CC2)n1 ZINC000159494099 361627529 /nfs/dbraw/zinc/62/75/29/361627529.db2.gz RKVWDNJZYHLMPA-UHFFFAOYSA-N 1 0 265.357 1.984 20 70 CDIDRO O=C(NCCCc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000159453084 361702526 /nfs/dbraw/zinc/70/25/26/361702526.db2.gz SHNHLTCZWKEMJJ-ZDUSSCGKSA-N 1 0 264.344 1.874 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000160469581 363893911 /nfs/dbraw/zinc/89/39/11/363893911.db2.gz KRSMDXUFJRCPRD-LQPUYASZSA-N 1 0 288.347 1.291 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000159389840 364196370 /nfs/dbraw/zinc/19/63/70/364196370.db2.gz KEAZUIUALWDXAO-WOPDTQHZSA-N 1 0 282.359 1.704 20 70 CDIDRO C[C@H](CCc1ccccc1F)C(=O)N1CC[NH2+]CC1 ZINC000159361477 364191916 /nfs/dbraw/zinc/19/19/16/364191916.db2.gz QBGAVSJPTQLODW-GFCCVEGCSA-N 1 0 264.344 1.826 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159694264 364252280 /nfs/dbraw/zinc/25/22/80/364252280.db2.gz SITAXFNNCUAYKM-BDAKNGLRSA-N 1 0 290.289 1.901 20 70 CDIDRO CC[C@@H]([NH2+]CCO)c1ccccc1OCC(=O)N(C)C ZINC000159706600 364255032 /nfs/dbraw/zinc/25/50/32/364255032.db2.gz ZOVWCJUGSVFNQW-CYBMUJFWSA-N 1 0 280.368 1.187 20 70 CDIDRO CC(C)(C)c1cc(C(=O)N2CCC[C@H]2C[NH3+])[nH]n1 ZINC000160349936 364337877 /nfs/dbraw/zinc/33/78/77/364337877.db2.gz RNKZWDHBMJYJRZ-VIFPVBQESA-N 1 0 250.346 1.271 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000160356833 364339496 /nfs/dbraw/zinc/33/94/96/364339496.db2.gz IHLMZLLKBARVDZ-ZJUUUORDSA-N 1 0 293.342 1.593 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccncc1Cl ZINC000159935790 364283509 /nfs/dbraw/zinc/28/35/09/364283509.db2.gz AGDJWICMBMBCHO-LLVKDONJSA-N 1 0 297.786 1.312 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000160473210 364357471 /nfs/dbraw/zinc/35/74/71/364357471.db2.gz SIUNBXZVBUACHH-GFCCVEGCSA-N 1 0 288.326 1.650 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC000160539979 364369519 /nfs/dbraw/zinc/36/95/19/364369519.db2.gz CSEDPOJMRAWOOJ-CQSZACIVSA-N 1 0 261.369 1.932 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000160752322 364405342 /nfs/dbraw/zinc/40/53/42/364405342.db2.gz NNGFIPXQVUDQHE-OAHLLOKOSA-N 1 0 298.390 1.674 20 70 CDIDRO O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000160802844 364411140 /nfs/dbraw/zinc/41/11/40/364411140.db2.gz OYXVNAQTRSAWFI-WDEREUQCSA-N 1 0 288.269 1.453 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000161384948 364486397 /nfs/dbraw/zinc/48/63/97/364486397.db2.gz JGFYQPZPSKQGMV-NSHDSACASA-N 1 0 250.346 1.458 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161507969 364505612 /nfs/dbraw/zinc/50/56/12/364505612.db2.gz AEGZGIUQRWEXMD-OLZOCXBDSA-N 1 0 264.325 1.530 20 70 CDIDRO COc1ccc(O)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000218074393 367260181 /nfs/dbraw/zinc/26/01/81/367260181.db2.gz KZYDEAJZBPEFGC-KBPBESRZSA-N 1 0 290.363 1.757 20 70 CDIDRO CCC[C@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000161448056 375369697 /nfs/dbraw/zinc/36/96/97/375369697.db2.gz KXJCUWLFJJCTDY-ZDUSSCGKSA-N 1 0 268.401 1.794 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000161495718 375637965 /nfs/dbraw/zinc/63/79/65/375637965.db2.gz RDYCDVRYEDDNOL-VHSXEESVSA-N 1 0 294.351 1.778 20 70 CDIDRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160742654 377113408 /nfs/dbraw/zinc/11/34/08/377113408.db2.gz WMUFDIKGTJLDEZ-TZMCWYRMSA-N 1 0 256.390 1.386 20 70 CDIDRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC([NH3+])(CC)CC ZINC000160416742 377062479 /nfs/dbraw/zinc/06/24/79/377062479.db2.gz PJEMWLGFFPDBQA-GFCCVEGCSA-N 1 0 283.416 1.411 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C2(OC)CC[NH2+]CC2)C1(C)C ZINC000160504042 377082437 /nfs/dbraw/zinc/08/24/37/377082437.db2.gz VEOHZPNJOHHESA-QWHCGFSZSA-N 1 0 298.427 1.417 20 70 CDIDRO Cc1ccn(-c2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000161400318 377225036 /nfs/dbraw/zinc/22/50/36/377225036.db2.gz OTSSXWSIDINSPF-MRXNPFEDSA-N 1 0 298.390 1.891 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc3nnnn3n2)C1 ZINC000161288299 377203071 /nfs/dbraw/zinc/20/30/71/377203071.db2.gz NGOBYMBUIIZJQQ-LBPRGKRZSA-N 1 0 289.387 1.299 20 70 CDIDRO CC[NH+]1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161284639 377203662 /nfs/dbraw/zinc/20/36/62/377203662.db2.gz UBSNWKKVXBLTBR-CYBMUJFWSA-N 1 0 285.432 1.567 20 70 CDIDRO COCCC1(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000161291277 284854864 /nfs/dbraw/zinc/85/48/64/284854864.db2.gz KXWPUSYKNVDPBM-UHFFFAOYSA-N 1 0 254.374 1.261 20 70 CDIDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc2c1OCCO2 ZINC000160375168 390978992 /nfs/dbraw/zinc/97/89/92/390978992.db2.gz WOSOUXASHGCDJK-LLVKDONJSA-N 1 0 292.335 1.030 20 70 CDIDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN ZINC000218189889 140164689 /nfs/dbraw/zinc/16/46/89/140164689.db2.gz PRGLBOUAEPTJIH-VIFPVBQESA-N 1 0 257.175 1.928 20 70 CDIDRO Cc1cccc(OCCC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159805935 139905499 /nfs/dbraw/zinc/90/54/99/139905499.db2.gz YNBYJHZTRVSPPB-HNNXBMFYSA-N 1 0 276.380 1.960 20 70 CDIDRO CO[C@@H]1CCN(C(=O)C2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000161134578 285688043 /nfs/dbraw/zinc/68/80/43/285688043.db2.gz XTRBSPPFZFZMON-ZIAGYGMSSA-N 1 0 268.401 1.922 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc([S@](C)=O)cc1 ZINC000160629247 261220707 /nfs/dbraw/zinc/22/07/07/261220707.db2.gz BVWGGAYITLOTGF-BMLIUANNSA-N 1 0 255.383 1.846 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCN(C)C2CCCC2)CC1 ZINC000161453819 278088405 /nfs/dbraw/zinc/08/84/05/278088405.db2.gz AACFBTRATMRCKL-UHFFFAOYSA-N 1 0 281.444 1.898 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000161274895 278088703 /nfs/dbraw/zinc/08/87/03/278088703.db2.gz ASOZSCNGBIVXMC-JEYLPNPQSA-N 1 0 281.444 1.898 20 70 CDIDRO CC(C)C[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000161079326 278993300 /nfs/dbraw/zinc/99/33/00/278993300.db2.gz HRZLQBYTQIDJAE-KGLIPLIRSA-N 1 0 270.417 1.774 20 70 CDIDRO COCCN(CC[NH2+][C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000218140185 280090362 /nfs/dbraw/zinc/09/03/62/280090362.db2.gz NQUZQPYADQZRIQ-LBPRGKRZSA-N 1 0 288.388 1.248 20 70 CDIDRO COc1ccccc1/C=C/C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159399994 292758519 /nfs/dbraw/zinc/75/85/19/292758519.db2.gz ZHDMEDBJHQOPMR-DKRLNXSXSA-N 1 0 286.375 1.920 20 70 CDIDRO C[NH+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000161061362 292799267 /nfs/dbraw/zinc/79/92/67/292799267.db2.gz GAGFORDMEGWZNB-UHFFFAOYSA-N 1 0 270.336 1.435 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000161155184 292801158 /nfs/dbraw/zinc/80/11/58/292801158.db2.gz NGTRVODPXAAVHM-LBPRGKRZSA-N 1 0 273.340 1.248 20 70 CDIDRO COc1cc(C2(C(=O)NCC(C)(C)[NH3+])CC2)ccc1C ZINC000160023530 533712743 /nfs/dbraw/zinc/71/27/43/533712743.db2.gz LXLDPSMQBKBLSF-UHFFFAOYSA-N 1 0 276.380 1.889 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000160102555 482783500 /nfs/dbraw/zinc/78/35/00/482783500.db2.gz AYURJIWCNAGTIF-LBPRGKRZSA-N 1 0 264.373 1.394 20 70 CDIDRO COCCC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000160785451 482825296 /nfs/dbraw/zinc/82/52/96/482825296.db2.gz UBZYAUZMPYXCAU-STQMWFEESA-N 1 0 268.401 1.969 20 70 CDIDRO COCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161058664 482856888 /nfs/dbraw/zinc/85/68/88/482856888.db2.gz PXHPEPAJPUYUID-ZIAGYGMSSA-N 1 0 292.379 1.712 20 70 CDIDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161132630 482862204 /nfs/dbraw/zinc/86/22/04/482862204.db2.gz VIEHZACACQJINK-AAEUAGOBSA-N 1 0 275.352 1.320 20 70 CDIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1C(C)(C)C ZINC000161286576 482872779 /nfs/dbraw/zinc/87/27/79/482872779.db2.gz ICDWTNZBIRGIGO-NWDGAFQWSA-N 1 0 278.400 1.946 20 70 CDIDRO CC(C)[C@@H](CO)[NH2+]Cc1cncc(Br)c1 ZINC000160586613 519795838 /nfs/dbraw/zinc/79/58/38/519795838.db2.gz GQDQSALQKOYADB-LLVKDONJSA-N 1 0 273.174 1.951 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC000160400659 519851317 /nfs/dbraw/zinc/85/13/17/519851317.db2.gz YTQKXFBUFGPYGT-UHFFFAOYSA-N 1 0 264.373 1.530 20 70 CDIDRO C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Sc1ccccc1 ZINC000161121202 524702566 /nfs/dbraw/zinc/70/25/66/524702566.db2.gz CJKQTGSGPKMGQK-SMDDNHRTSA-N 1 0 282.384 1.985 20 70 CDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000159578753 361736231 /nfs/dbraw/zinc/73/62/31/361736231.db2.gz DAFJIWLTEWHERZ-UHFFFAOYSA-N 1 0 297.380 1.268 20 70 CDIDRO C[C@@]1(c2ccccc2)CN(C(=O)CCC[NH3+])CCO1 ZINC000159648991 361761497 /nfs/dbraw/zinc/76/14/97/361761497.db2.gz KCTGDIKTGRWFCE-HNNXBMFYSA-N 1 0 262.353 1.500 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000159700209 361785259 /nfs/dbraw/zinc/78/52/59/361785259.db2.gz NTASWXUTBVGFIH-UHFFFAOYSA-N 1 0 296.802 1.972 20 70 CDIDRO CC(=O)NC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159726469 361812927 /nfs/dbraw/zinc/81/29/27/361812927.db2.gz IWAWEKANLBTAOL-AWEZNQCLSA-N 1 0 254.374 1.261 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000161149378 361889560 /nfs/dbraw/zinc/88/95/60/361889560.db2.gz ONPXTAGHQWQVLA-MNOVXSKESA-N 1 0 268.332 1.565 20 70 CDIDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2)CCC1 ZINC000218699715 539088356 /nfs/dbraw/zinc/08/83/56/539088356.db2.gz ZVPOETWPXQFQBW-UHFFFAOYSA-N 1 0 261.369 1.970 20 70 CDIDRO CCC(=O)N[C@@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161202646 361918932 /nfs/dbraw/zinc/91/89/32/361918932.db2.gz DZLYPNFGPBEQEW-GFCCVEGCSA-N 1 0 283.416 1.269 20 70 CDIDRO C[N@H+](C[C@H](O)C1CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160069357 539115365 /nfs/dbraw/zinc/11/53/65/539115365.db2.gz WSHVAFNNSMSIIH-HNNXBMFYSA-N 1 0 296.455 1.974 20 70 CDIDRO CCN(C(=O)[C@@]1(F)CC[NH2+]C1)c1nc(C)cs1 ZINC000160178599 362047525 /nfs/dbraw/zinc/04/75/25/362047525.db2.gz QWYODDAEYCUHMR-LLVKDONJSA-N 1 0 257.334 1.506 20 70 CDIDRO Cc1c(C[NH2+]Cc2ccc(C(N)=O)cc2)cnn1C ZINC000159587653 362345481 /nfs/dbraw/zinc/34/54/81/362345481.db2.gz CAYSGFZDBKMCBI-UHFFFAOYSA-N 1 0 258.325 1.117 20 70 CDIDRO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159995046 362386977 /nfs/dbraw/zinc/38/69/77/362386977.db2.gz QNMCMHSKTIILGJ-JQWIXIFHSA-N 1 0 278.352 1.593 20 70 CDIDRO CC[C@H](COC)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159448406 344957995 /nfs/dbraw/zinc/95/79/95/344957995.db2.gz ASXQTBUOJVGLJM-NWDGAFQWSA-N 1 0 257.378 1.052 20 70 CDIDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1=O ZINC000160957334 362570245 /nfs/dbraw/zinc/57/02/45/362570245.db2.gz KZGPMDKSPOSGCD-LLVKDONJSA-N 1 0 284.718 1.716 20 70 CDIDRO CCCCN(CCOC)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160685427 346194904 /nfs/dbraw/zinc/19/49/04/346194904.db2.gz OBOZBFRJNSGMKL-HNNXBMFYSA-N 1 0 297.443 1.929 20 70 CDIDRO Cc1ccc(N2CCC[C@@H](NC(=O)C3([NH3+])CC3)C2=O)cc1 ZINC000161316146 362769817 /nfs/dbraw/zinc/76/98/17/362769817.db2.gz JFKXMHXERKBIQC-CYBMUJFWSA-N 1 0 287.363 1.098 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccn(C)c1 ZINC000159406059 188424544 /nfs/dbraw/zinc/42/45/44/188424544.db2.gz OVLGBXHNFXPQIN-UHFFFAOYSA-N 1 0 266.389 1.507 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159807549 363329733 /nfs/dbraw/zinc/32/97/33/363329733.db2.gz VPUONYIKSPGISS-LBPRGKRZSA-N 1 0 265.401 1.818 20 70 CDIDRO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000218680083 359062254 /nfs/dbraw/zinc/06/22/54/359062254.db2.gz WMLXXJVNUOLDQZ-TZMCWYRMSA-N 1 0 292.379 1.157 20 70 CDIDRO Cc1nn(C)c2ncc(C[NH2+]CCC(=O)NC(C)C)cc12 ZINC000159400923 359173267 /nfs/dbraw/zinc/17/32/67/359173267.db2.gz OZNLNCVLCKBTPP-UHFFFAOYSA-N 1 0 289.383 1.281 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000159378953 361678776 /nfs/dbraw/zinc/67/87/76/361678776.db2.gz YDDRXUJIMGDVQO-ONGXEEELSA-N 1 0 282.315 1.669 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000159462945 361714806 /nfs/dbraw/zinc/71/48/06/361714806.db2.gz AKOLGGSNOJLXIW-NEPJUHHUSA-N 1 0 256.390 1.479 20 70 CDIDRO CC[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160391778 363842899 /nfs/dbraw/zinc/84/28/99/363842899.db2.gz SIUWNVYBPBMBQE-TZMCWYRMSA-N 1 0 264.344 1.954 20 70 CDIDRO Cc1cnccc1CCNC(=O)NCC[N@@H+](C)C(C)C ZINC000160492488 363939939 /nfs/dbraw/zinc/93/99/39/363939939.db2.gz NESVMAKYIQQTOG-UHFFFAOYSA-N 1 0 278.400 1.572 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000159424963 364204811 /nfs/dbraw/zinc/20/48/11/364204811.db2.gz BDGACABCVKBZPY-BFHYXJOUSA-N 1 0 278.396 1.607 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159764907 364262190 /nfs/dbraw/zinc/26/21/90/364262190.db2.gz JJFURFHFBBJNCR-NSHDSACASA-N 1 0 275.352 1.310 20 70 CDIDRO COC(=O)CCCOc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000159829608 364272187 /nfs/dbraw/zinc/27/21/87/364272187.db2.gz GKCOIKOBPZKCPT-SNVBAGLBSA-N 1 0 280.324 1.304 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000160116110 364308882 /nfs/dbraw/zinc/30/88/82/364308882.db2.gz NDJNUVNBNGGBRL-LLVKDONJSA-N 1 0 298.333 1.541 20 70 CDIDRO CCCNC(=O)c1cccc(C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000160496111 364363489 /nfs/dbraw/zinc/36/34/89/364363489.db2.gz FZDXFNZZLRHWIT-CQSZACIVSA-N 1 0 289.379 1.260 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)CC2 ZINC000160506525 364364901 /nfs/dbraw/zinc/36/49/01/364364901.db2.gz UFUHEMPSMRSQKJ-TVQRCGJNSA-N 1 0 275.331 1.786 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCc1ccncc1C ZINC000160581725 364376776 /nfs/dbraw/zinc/37/67/76/364376776.db2.gz UHEGKFRJMFOTQZ-AWEZNQCLSA-N 1 0 292.427 1.962 20 70 CDIDRO COC(=O)NCc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000160956485 364431858 /nfs/dbraw/zinc/43/18/58/364431858.db2.gz VGPUTOMQYVLVOU-UHFFFAOYSA-N 1 0 265.313 1.218 20 70 CDIDRO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1N ZINC000161266661 364470457 /nfs/dbraw/zinc/47/04/57/364470457.db2.gz ARXWCZMSRRCCAO-AWEZNQCLSA-N 1 0 263.341 1.606 20 70 CDIDRO Cc1ccnc(N2CCN(c3cnccn3)CC2)c1 ZINC000161318025 364477321 /nfs/dbraw/zinc/47/73/21/364477321.db2.gz ZGKNDNRFYRQFBJ-UHFFFAOYSA-N 1 0 255.325 1.507 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000161340390 364480779 /nfs/dbraw/zinc/48/07/79/364480779.db2.gz NVSKAONDNNGLDI-SEEARECTSA-N 1 0 294.370 1.896 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N2CCCC2)nn1 ZINC000160538276 377084027 /nfs/dbraw/zinc/08/40/27/377084027.db2.gz QCMNXCCFKMPKSK-UHFFFAOYSA-N 1 0 291.399 1.324 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160183570 377868627 /nfs/dbraw/zinc/86/86/27/377868627.db2.gz NAQRGFWCOSUPAU-SNVBAGLBSA-N 1 0 265.357 1.292 20 70 CDIDRO C[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)N(C)C1CC1 ZINC000218709416 412950190 /nfs/dbraw/zinc/95/01/90/412950190.db2.gz JPMGQBKXTAMYJX-JSGCOSHPSA-N 1 0 298.452 1.698 20 70 CDIDRO C[C@@H](CS(C)(=O)=O)[NH2+]C/C=C\c1ccccc1 ZINC000216969978 391651016 /nfs/dbraw/zinc/65/10/16/391651016.db2.gz MENDHYLJRUUIFR-PWWFUAJNSA-N 1 0 253.367 1.723 20 70 CDIDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)N(C)C1CC1 ZINC000218747814 298782962 /nfs/dbraw/zinc/78/29/62/298782962.db2.gz PUEJCLUDZZGXNX-YRGRVCCFSA-N 1 0 288.457 1.415 20 70 CDIDRO COCC[C@@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161181476 292624225 /nfs/dbraw/zinc/62/42/25/292624225.db2.gz GEPQGWXIEWTNDS-CYBMUJFWSA-N 1 0 280.416 1.952 20 70 CDIDRO COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])CO2 ZINC000160284867 274126435 /nfs/dbraw/zinc/12/64/35/274126435.db2.gz MHXUBRFSQKZFLW-QWHCGFSZSA-N 1 0 290.363 1.196 20 70 CDIDRO CCS[C@@H]1CCCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159766022 276509229 /nfs/dbraw/zinc/50/92/29/276509229.db2.gz FPQFFPCFRJUVIB-NEPJUHHUSA-N 1 0 256.415 1.873 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000159835566 279392802 /nfs/dbraw/zinc/39/28/02/279392802.db2.gz XPRIDRFWKZHZEQ-GBIKHYSHSA-N 1 0 282.771 1.976 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000160325846 279639406 /nfs/dbraw/zinc/63/94/06/279639406.db2.gz IMJPKGGRUFHMKZ-ZDUSSCGKSA-N 1 0 291.370 1.989 20 70 CDIDRO CN(C)C(=O)CCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159497367 288939788 /nfs/dbraw/zinc/93/97/88/288939788.db2.gz YMIFTLMOVHROKA-UHFFFAOYSA-N 1 0 269.389 1.023 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000218177904 329468208 /nfs/dbraw/zinc/46/82/08/329468208.db2.gz BENJVWAKABCERR-CQSZACIVSA-N 1 0 294.395 1.111 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC000160778136 482826245 /nfs/dbraw/zinc/82/62/45/482826245.db2.gz HBJXJIOEHPKBBC-VXGBXAGGSA-N 1 0 286.335 1.736 20 70 CDIDRO CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160932801 482844226 /nfs/dbraw/zinc/84/42/26/482844226.db2.gz UPIRRYNIINZQJO-WDEREUQCSA-N 1 0 296.392 1.090 20 70 CDIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)(C)C ZINC000161301832 482872532 /nfs/dbraw/zinc/87/25/32/482872532.db2.gz TVMHOVCVMGOSKA-NEPJUHHUSA-N 1 0 278.400 1.946 20 70 CDIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000161301372 482872813 /nfs/dbraw/zinc/87/28/13/482872813.db2.gz TVMHOVCVMGOSKA-NWDGAFQWSA-N 1 0 278.400 1.946 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H](CO)CC(C)C)CC1 ZINC000161352368 519645772 /nfs/dbraw/zinc/64/57/72/519645772.db2.gz HGMZFDLAAOOKPP-JXQTWKCFSA-N 1 0 256.390 1.430 20 70 CDIDRO CC1CCN(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000160563720 520981647 /nfs/dbraw/zinc/98/16/47/520981647.db2.gz JYNCRJBIHRAQIQ-ZDUSSCGKSA-N 1 0 253.390 1.722 20 70 CDIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000161420411 523197228 /nfs/dbraw/zinc/19/72/28/523197228.db2.gz LVVJRACEKKTJSB-OLZOCXBDSA-N 1 0 276.446 1.874 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000160452718 527250647 /nfs/dbraw/zinc/25/06/47/527250647.db2.gz BDRXRVUZSLLWCS-ZFWWWQNUSA-N 1 0 294.326 1.494 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000161468685 528337470 /nfs/dbraw/zinc/33/74/70/528337470.db2.gz KEOMNDPGRXBZLX-CHWSQXEVSA-N 1 0 283.416 1.091 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)n1nc(C)cc1C ZINC000160553513 528945490 /nfs/dbraw/zinc/94/54/90/528945490.db2.gz JHFSWLGGXQWEJE-LBPRGKRZSA-N 1 0 266.389 1.695 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(c2cc(S(=O)(=O)F)ccn2)C1 ZINC001165038431 721899515 /nfs/dbraw/zinc/89/95/15/721899515.db2.gz QRBPHDMXGIRISD-JTQLQIEISA-N 1 0 287.360 1.270 20 70 CDIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000159736972 361820948 /nfs/dbraw/zinc/82/09/48/361820948.db2.gz DOQJODPKWRAMBG-KBPBESRZSA-N 1 0 266.385 1.500 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000161127178 361876628 /nfs/dbraw/zinc/87/66/28/361876628.db2.gz GVQOZBHQUWIXED-WFASDCNBSA-N 1 0 294.395 1.952 20 70 CDIDRO CCCNC(=O)[C@H]1CCC[N@H+](CCCOCC)C1 ZINC000159876509 361896669 /nfs/dbraw/zinc/89/66/69/361896669.db2.gz XZXHSGKDEAJIQT-ZDUSSCGKSA-N 1 0 256.390 1.651 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000161168898 361899595 /nfs/dbraw/zinc/89/95/95/361899595.db2.gz LGRVEHPQBYIKQF-QWHCGFSZSA-N 1 0 262.353 1.488 20 70 CDIDRO COC[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000160175504 539115600 /nfs/dbraw/zinc/11/56/00/539115600.db2.gz QWMLDMHKMBELSD-DGCLKSJQSA-N 1 0 254.374 1.545 20 70 CDIDRO Clc1snnc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161391226 539117689 /nfs/dbraw/zinc/11/76/89/539117689.db2.gz OBEJGZUIEBZTMV-UHFFFAOYSA-N 1 0 295.799 1.909 20 70 CDIDRO COC(=O)c1ccc(C[NH2+]CCC(=O)NC(C)C)cc1 ZINC000159380442 362316666 /nfs/dbraw/zinc/31/66/66/362316666.db2.gz SWKPMKBBOYYNSU-UHFFFAOYSA-N 1 0 278.352 1.478 20 70 CDIDRO COc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc2c1OCO2 ZINC000159989991 362384507 /nfs/dbraw/zinc/38/45/07/362384507.db2.gz FISRJGBQLOWFCW-PWSUYJOCSA-N 1 0 278.352 1.593 20 70 CDIDRO Cc1cccc(CCNC(=O)NCCC[NH+](C)C)c1 ZINC000217406105 365998177 /nfs/dbraw/zinc/99/81/77/365998177.db2.gz NDYSHSXEMRUBLD-UHFFFAOYSA-N 1 0 263.385 1.788 20 70 CDIDRO C[C@H]1CCc2c(C(=O)NCCC[NH3+])csc2C1 ZINC000160134647 188457201 /nfs/dbraw/zinc/45/72/01/188457201.db2.gz LIWGDVMQWNPFJG-VIFPVBQESA-N 1 0 252.383 1.952 20 70 CDIDRO COc1ccc(C(=O)CCC(=O)NCC(C)(C)[NH3+])cc1F ZINC000159972070 188449496 /nfs/dbraw/zinc/44/94/96/188449496.db2.gz HMNZCRGKDCNPMG-UHFFFAOYSA-N 1 0 296.342 1.651 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1cccnc1 ZINC000161321828 188521934 /nfs/dbraw/zinc/52/19/34/188521934.db2.gz FNGQNUBPHLYZFX-NWDGAFQWSA-N 1 0 263.341 1.059 20 70 CDIDRO CC(C)C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000159846008 363377959 /nfs/dbraw/zinc/37/79/59/363377959.db2.gz KWVOFVFTAMFQPU-KBPBESRZSA-N 1 0 284.448 1.356 20 70 CDIDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C[C@H](O)C1CC1 ZINC000160772617 538850709 /nfs/dbraw/zinc/85/07/09/538850709.db2.gz YFVCWNWCKKAYGH-XPTSAGLGSA-N 1 0 298.333 1.995 20 70 CDIDRO CCN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160857695 358775039 /nfs/dbraw/zinc/77/50/39/358775039.db2.gz RWLBZAYECOKIMX-GFCCVEGCSA-N 1 0 269.389 1.027 20 70 CDIDRO Cc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160361985 237171557 /nfs/dbraw/zinc/17/15/57/237171557.db2.gz JPYKKSBFCZVPHX-GFCCVEGCSA-N 1 0 282.409 1.633 20 70 CDIDRO COC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000217363307 359821713 /nfs/dbraw/zinc/82/17/13/359821713.db2.gz CMDTWMDGBHIRJC-PWSUYJOCSA-N 1 0 276.340 1.302 20 70 CDIDRO CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000160974757 360463051 /nfs/dbraw/zinc/46/30/51/360463051.db2.gz FFSXGCFKSAQERI-LSDHHAIUSA-N 1 0 292.379 1.375 20 70 CDIDRO Cn1cnnc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000160730906 360844981 /nfs/dbraw/zinc/84/49/81/360844981.db2.gz NGPPBBNPWRMAQX-UHFFFAOYSA-N 1 0 285.395 1.175 20 70 CDIDRO O=C(C[C@@H]1OCCc2ccccc21)N1CC[NH2+]CC1 ZINC000159435860 364206038 /nfs/dbraw/zinc/20/60/38/364206038.db2.gz MGNIRVFYTHYCKO-AWEZNQCLSA-N 1 0 260.337 1.122 20 70 CDIDRO C[C@H](CNC(=O)N[C@@H](C)CCO)[N@H+](C)Cc1ccccc1 ZINC000159591164 364237786 /nfs/dbraw/zinc/23/77/86/364237786.db2.gz CBHUMMHBHVZACZ-UONOGXRCSA-N 1 0 293.411 1.577 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000159643508 364245827 /nfs/dbraw/zinc/24/58/27/364245827.db2.gz TYQYVCKEUKDRJN-LBPRGKRZSA-N 1 0 264.325 1.468 20 70 CDIDRO C[C@H](c1cccnc1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159847701 364273296 /nfs/dbraw/zinc/27/32/96/364273296.db2.gz OUJBJVSOGVBOBU-OAHLLOKOSA-N 1 0 285.395 1.657 20 70 CDIDRO Cn1nc(C(C)(C)C)cc1C(=O)NCC(C)(C)[NH3+] ZINC000160081943 364304187 /nfs/dbraw/zinc/30/41/87/364304187.db2.gz HOVKQEOITOYGQZ-UHFFFAOYSA-N 1 0 252.362 1.185 20 70 CDIDRO Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160153100 364312769 /nfs/dbraw/zinc/31/27/69/364312769.db2.gz WNOGKHFVMQXOLR-VIFPVBQESA-N 1 0 271.748 1.519 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000160452199 364354358 /nfs/dbraw/zinc/35/43/58/364354358.db2.gz AASVHGNONXKNOX-RISCZKNCSA-N 1 0 276.336 1.402 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 ZINC000160645377 364388238 /nfs/dbraw/zinc/38/82/38/364388238.db2.gz OTWKXLQMJTUASV-CYBMUJFWSA-N 1 0 288.395 1.506 20 70 CDIDRO CCc1ncnc(N(CCOC)CC[NH+](CC)CC)c1F ZINC000160410974 364347079 /nfs/dbraw/zinc/34/70/79/364347079.db2.gz DLKNZSOSXVWRSD-UHFFFAOYSA-N 1 0 298.406 1.973 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160423025 364350997 /nfs/dbraw/zinc/35/09/97/364350997.db2.gz WRXUIETUSLWACR-LLVKDONJSA-N 1 0 293.392 1.590 20 70 CDIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](CC3CC3)CC2)n1 ZINC000160925818 364429195 /nfs/dbraw/zinc/42/91/95/364429195.db2.gz MDTXRRCFXQVHPH-UHFFFAOYSA-N 1 0 276.384 1.272 20 70 CDIDRO CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)N1CCCC1=O ZINC000161246805 367806789 /nfs/dbraw/zinc/80/67/89/367806789.db2.gz WZGWLQRHXQJCLK-BFHYXJOUSA-N 1 0 295.427 1.232 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000161272952 368140901 /nfs/dbraw/zinc/14/09/01/368140901.db2.gz MSHDQKHTBJVUJA-CYBMUJFWSA-N 1 0 278.400 1.180 20 70 CDIDRO O=C([C@H]1C[C@]12CCCc1ccccc12)N1CC[NH2+]CC1 ZINC000159406934 296150749 /nfs/dbraw/zinc/15/07/49/296150749.db2.gz HGEMLKWYGYDUJE-WBVHZDCISA-N 1 0 270.376 1.712 20 70 CDIDRO CCNC(=O)C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000161501404 373783768 /nfs/dbraw/zinc/78/37/68/373783768.db2.gz CJJGESTYXUEVPX-UTUOFQBUSA-N 1 0 270.373 1.080 20 70 CDIDRO Cc1c2ccccc2oc(=O)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160293833 291612287 /nfs/dbraw/zinc/61/22/87/291612287.db2.gz WKGYBFNSHVGFNW-SNVBAGLBSA-N 1 0 272.304 1.275 20 70 CDIDRO CC(C)([NH3+])CNC(=O)COCCc1ccccc1 ZINC000160093720 377003475 /nfs/dbraw/zinc/00/34/75/377003475.db2.gz VRDFYHRYYSQHBC-UHFFFAOYSA-N 1 0 250.342 1.099 20 70 CDIDRO CC(C)c1nccc(N2CCC[C@H]2CN2CCOCC2)n1 ZINC000160394360 377059221 /nfs/dbraw/zinc/05/92/21/377059221.db2.gz BUBBADNVBWCTFY-AWEZNQCLSA-N 1 0 290.411 1.901 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)COc1ccccc1OC ZINC000160409133 377062114 /nfs/dbraw/zinc/06/21/14/377062114.db2.gz OUHJMYVXHJXSKQ-UHFFFAOYSA-N 1 0 280.368 1.708 20 70 CDIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](CCOC)CC1 ZINC000161346496 377572508 /nfs/dbraw/zinc/57/25/08/377572508.db2.gz MCCWIYDKVRHQAM-LBPRGKRZSA-N 1 0 272.389 1.029 20 70 CDIDRO COCCC1(CNC(=O)N(C)CC[NH+](C)C)CC1 ZINC000161176178 390954671 /nfs/dbraw/zinc/95/46/71/390954671.db2.gz KHYRLMXMIHBQRP-UHFFFAOYSA-N 1 0 257.378 1.006 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(F)(F)F ZINC000217401738 391287693 /nfs/dbraw/zinc/28/76/93/391287693.db2.gz XBXVQCASRNDORZ-QMMMGPOBSA-N 1 0 255.284 1.578 20 70 CDIDRO CC[C@H](C(=O)NC[C@@H](O)C1CCCCC1)[NH+](C)C ZINC000160242413 391502527 /nfs/dbraw/zinc/50/25/27/391502527.db2.gz LNDVCNDVELSKAV-CHWSQXEVSA-N 1 0 256.390 1.384 20 70 CDIDRO [NH3+]C1(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000160386722 391509434 /nfs/dbraw/zinc/50/94/34/391509434.db2.gz BWTIANLAJDQKAG-LBPRGKRZSA-N 1 0 290.338 1.738 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)CC[NH3+])[C@H](C)CO1 ZINC000161467747 392723173 /nfs/dbraw/zinc/72/31/73/392723173.db2.gz VBWJZMQXVUUYKV-TZMCWYRMSA-N 1 0 262.353 1.632 20 70 CDIDRO COC(C)(C)C[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000160969152 292061684 /nfs/dbraw/zinc/06/16/84/292061684.db2.gz FFXIWMHLWBERGV-LLVKDONJSA-N 1 0 272.389 1.075 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000159896334 277229485 /nfs/dbraw/zinc/22/94/85/277229485.db2.gz YCXYWZDQKPABCU-LSDHHAIUSA-N 1 0 290.407 1.935 20 70 CDIDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907020 278372744 /nfs/dbraw/zinc/37/27/44/278372744.db2.gz BINCEBUILQEVMR-BXUZGUMPSA-N 1 0 285.351 1.149 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160092515 278828285 /nfs/dbraw/zinc/82/82/85/278828285.db2.gz JZSRMQCXJCHAPK-AWEZNQCLSA-N 1 0 261.369 1.603 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCOCC1)CC2 ZINC000160574023 279141445 /nfs/dbraw/zinc/14/14/45/279141445.db2.gz CMTJBOPRZDGDIZ-MFKMUULPSA-N 1 0 264.373 1.306 20 70 CDIDRO COCCOc1cccc(CC(=O)NCCC[NH+](C)C)c1 ZINC000160971804 279877293 /nfs/dbraw/zinc/87/72/93/279877293.db2.gz QBQBNESJVUFXJL-UHFFFAOYSA-N 1 0 294.395 1.322 20 70 CDIDRO Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000160319290 280382626 /nfs/dbraw/zinc/38/26/26/280382626.db2.gz DCDHSEXUFCRWOY-CYBMUJFWSA-N 1 0 280.368 1.473 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161408235 292805265 /nfs/dbraw/zinc/80/52/65/292805265.db2.gz KZOKIISDLDFJBW-UHFFFAOYSA-N 1 0 295.358 1.854 20 70 CDIDRO COCCOC1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000159620463 482736221 /nfs/dbraw/zinc/73/62/21/482736221.db2.gz YJQGAGPFMPRZDD-UHFFFAOYSA-N 1 0 272.389 1.029 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000160811478 482828412 /nfs/dbraw/zinc/82/84/12/482828412.db2.gz UNKBWXFIEYGZFM-UONOGXRCSA-N 1 0 295.427 1.459 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000160878673 482834671 /nfs/dbraw/zinc/83/46/71/482834671.db2.gz KIJIDYQSFBYVCP-NEPJUHHUSA-N 1 0 285.351 1.267 20 70 CDIDRO CN(C)C(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161283607 482872844 /nfs/dbraw/zinc/87/28/44/482872844.db2.gz LRNHNPSQKKBKAY-ZIAGYGMSSA-N 1 0 289.379 1.388 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000161338730 482875148 /nfs/dbraw/zinc/87/51/48/482875148.db2.gz MRLDBXWLNIBVKY-GHMZBOCLSA-N 1 0 268.307 1.893 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000161451786 482878391 /nfs/dbraw/zinc/87/83/91/482878391.db2.gz CDMSFELXAJRNMV-GHMZBOCLSA-N 1 0 264.373 1.543 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000161505975 482880647 /nfs/dbraw/zinc/88/06/47/482880647.db2.gz XQVIUXQSBKBFIW-CMPLNLGQSA-N 1 0 261.325 1.011 20 70 CDIDRO CC[NH+](CC)[C@H](C)CNC(=O)C1(CCOC)CC1 ZINC000161510804 520851030 /nfs/dbraw/zinc/85/10/30/520851030.db2.gz OZXUDBKHAZDWMM-GFCCVEGCSA-N 1 0 256.390 1.650 20 70 CDIDRO CC[C@@H](C(=O)N[C@H](C)C(=O)OC(C)(C)C)[NH+](C)C ZINC000161067589 521858632 /nfs/dbraw/zinc/85/86/32/521858632.db2.gz WZKRNCGOZGMOMI-ZJUUUORDSA-N 1 0 258.362 1.173 20 70 CDIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413276 522060938 /nfs/dbraw/zinc/06/09/38/522060938.db2.gz LWWRCTYTIXDHOF-LRVUVFPRSA-N 1 0 269.433 1.754 20 70 CDIDRO CC[C@H](C)NC(=O)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161389536 523967417 /nfs/dbraw/zinc/96/74/17/523967417.db2.gz DLXAKGJFUHCKDI-XGNXJENSSA-N 1 0 283.416 1.328 20 70 CDIDRO C[C@@H](CO)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000160443713 524785485 /nfs/dbraw/zinc/78/54/85/524785485.db2.gz XHNIEAYKMNBLBF-NSHDSACASA-N 1 0 250.342 1.201 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000160843757 525439738 /nfs/dbraw/zinc/43/97/38/525439738.db2.gz TVSHOFCVXKZGIL-CQSZACIVSA-N 1 0 262.353 1.634 20 70 CDIDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159615243 526874865 /nfs/dbraw/zinc/87/48/65/526874865.db2.gz MXWACECRCPWJSH-ZDUSSCGKSA-N 1 0 286.379 1.812 20 70 CDIDRO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217830348 528140739 /nfs/dbraw/zinc/14/07/39/528140739.db2.gz CLARUPUMSWGCBT-GLQYFDAESA-N 1 0 276.380 1.710 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)NCCC[NH3+])cc21 ZINC000160137359 528514259 /nfs/dbraw/zinc/51/42/59/528514259.db2.gz NJPGYXBVWVFPSF-UHFFFAOYSA-N 1 0 262.313 1.425 20 70 CDIDRO CCOc1ccccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160123099 535522704 /nfs/dbraw/zinc/52/27/04/535522704.db2.gz AHOLHSRMDONHFW-AWEZNQCLSA-N 1 0 291.395 1.693 20 70 CDIDRO COc1ccc(O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000218168380 536819711 /nfs/dbraw/zinc/81/97/11/536819711.db2.gz QDADTNQYSRBQJY-NEPJUHHUSA-N 1 0 290.363 1.710 20 70 CDIDRO COC(=O)c1ccc([C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000217993668 617662948 /nfs/dbraw/zinc/66/29/48/617662948.db2.gz HRYLGZLVTHAOQE-WDEREUQCSA-N 1 0 266.341 1.763 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160909918 361740974 /nfs/dbraw/zinc/74/09/74/361740974.db2.gz SYSRDNBFCQTLPN-SNVBAGLBSA-N 1 0 250.317 1.912 20 70 CDIDRO COCCN1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159615350 361753567 /nfs/dbraw/zinc/75/35/67/361753567.db2.gz LKQHBOLXFZEMDQ-CYBMUJFWSA-N 1 0 258.431 1.582 20 70 CDIDRO COCC[NH2+]CC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000159648123 361761456 /nfs/dbraw/zinc/76/14/56/361761456.db2.gz OMQGTLRZKFDTBO-UHFFFAOYSA-N 1 0 284.787 1.927 20 70 CDIDRO O=C(NC[C@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000159727515 361812852 /nfs/dbraw/zinc/81/28/52/361812852.db2.gz JEVYKDXXOMQHML-CQSZACIVSA-N 1 0 258.365 1.832 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)N[C@H](CC)COC ZINC000159808465 361870211 /nfs/dbraw/zinc/87/02/11/361870211.db2.gz IFFVKHLZRZGOTE-GFCCVEGCSA-N 1 0 259.394 1.443 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159883221 361891979 /nfs/dbraw/zinc/89/19/79/361891979.db2.gz CYFKMOCWRKZTPM-AWEZNQCLSA-N 1 0 285.432 1.929 20 70 CDIDRO CCCNC(=O)[C@@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161204316 361918948 /nfs/dbraw/zinc/91/89/48/361918948.db2.gz KKSSFWHDIBKGMW-CYBMUJFWSA-N 1 0 297.443 1.516 20 70 CDIDRO CC[C@H](C(=O)N(C)CC(=O)OC(C)(C)C)[NH+](C)C ZINC000159520515 362084649 /nfs/dbraw/zinc/08/46/49/362084649.db2.gz HYIFWLFPMXCXSL-SNVBAGLBSA-N 1 0 258.362 1.127 20 70 CDIDRO COC[C@H]([NH3+])C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000159427502 362321369 /nfs/dbraw/zinc/32/13/69/362321369.db2.gz SZQPOUKKXBKXEE-HNNXBMFYSA-N 1 0 288.347 1.438 20 70 CDIDRO [NH3+]C1(CNC(=O)C[C@@H]2CCCCO2)CCCCC1 ZINC000159480364 362326936 /nfs/dbraw/zinc/32/69/36/362326936.db2.gz MAIJHMCHYFZWBI-LBPRGKRZSA-N 1 0 254.374 1.723 20 70 CDIDRO COc1ccccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159954268 362381812 /nfs/dbraw/zinc/38/18/12/362381812.db2.gz YFFKLHIFHJOVDL-NSHDSACASA-N 1 0 284.381 1.053 20 70 CDIDRO [NH3+][C@@H]1C[C@H](NCCNC(=O)C2CC2)c2ccccc21 ZINC000160703567 362473503 /nfs/dbraw/zinc/47/35/03/362473503.db2.gz AIIKSOLLALCJJI-KGLIPLIRSA-N 1 0 259.353 1.247 20 70 CDIDRO CO[C@@H]1CCN(CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201679 362622261 /nfs/dbraw/zinc/62/22/61/362622261.db2.gz CBFYNTMFMXGEEC-WDEREUQCSA-N 1 0 284.322 1.394 20 70 CDIDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C(N)=O)cc1 ZINC000161107464 362674036 /nfs/dbraw/zinc/67/40/36/362674036.db2.gz XDYYSDWNRQKLSB-UHFFFAOYSA-N 1 0 272.352 1.541 20 70 CDIDRO C[C@@H](CNC(=O)NCc1ncccc1F)[N@H+](C)C1CC1 ZINC000159866018 363385161 /nfs/dbraw/zinc/38/51/61/363385161.db2.gz HBNBSATZSGLBTL-JTQLQIEISA-N 1 0 280.347 1.503 20 70 CDIDRO C[N@H+](CC(=O)N1CCOC(C)(C)C1)[C@@H]1CCSC1 ZINC000159985941 363545340 /nfs/dbraw/zinc/54/53/40/363545340.db2.gz ZSLRSILBBZALAQ-LLVKDONJSA-N 1 0 272.414 1.061 20 70 CDIDRO Cn1ncnc1C[NH2+]CCc1cccc2cccnc21 ZINC000159407395 358992827 /nfs/dbraw/zinc/99/28/27/358992827.db2.gz CYINXWLOKLJYMZ-UHFFFAOYSA-N 1 0 267.336 1.696 20 70 CDIDRO Cc1c(Cl)cccc1OCC(=O)N1CC[NH2+]CC1 ZINC000159439230 359139388 /nfs/dbraw/zinc/13/93/88/359139388.db2.gz WXZLPRFFPXSBDH-UHFFFAOYSA-N 1 0 268.744 1.459 20 70 CDIDRO CO[C@]1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCOC1 ZINC000160085251 363648666 /nfs/dbraw/zinc/64/86/66/363648666.db2.gz CGUAHXWDJZUYNR-AWEZNQCLSA-N 1 0 288.388 1.296 20 70 CDIDRO Cc1c(CNC2CC[NH+](CC(C)C)CC2)cnn1C ZINC000159885263 237160234 /nfs/dbraw/zinc/16/02/34/237160234.db2.gz MAGPNRFXGCKVSW-UHFFFAOYSA-N 1 0 264.417 1.939 20 70 CDIDRO CN(Cc1nc(-c2ccccc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160156214 360883919 /nfs/dbraw/zinc/88/39/19/360883919.db2.gz SMIPCYFMRKYVCD-CYBMUJFWSA-N 1 0 272.352 1.906 20 70 CDIDRO CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160441922 363872054 /nfs/dbraw/zinc/87/20/54/363872054.db2.gz LFSXJRGXBSONTR-CHWSQXEVSA-N 1 0 298.431 1.060 20 70 CDIDRO CCSCCN1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000160580460 364043296 /nfs/dbraw/zinc/04/32/96/364043296.db2.gz YBDCKFCUOCJNDX-UHFFFAOYSA-N 1 0 287.473 1.226 20 70 CDIDRO CC[N@H+](CCNC(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000159391631 364198876 /nfs/dbraw/zinc/19/88/76/364198876.db2.gz PPOQYOQNKLVUTH-UHFFFAOYSA-N 1 0 272.352 1.777 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(C)no1)C(=O)OC ZINC000159652698 364247171 /nfs/dbraw/zinc/24/71/71/364247171.db2.gz NAQRTPKOVBLNPS-UHFFFAOYSA-N 1 0 297.355 1.491 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1C ZINC000160320354 364334267 /nfs/dbraw/zinc/33/42/67/364334267.db2.gz IBJKVCNCVKYLTG-QWRGUYRKSA-N 1 0 250.346 1.586 20 70 CDIDRO COc1cc(CCNC(=O)[C@H]([NH3+])CCSC)ccc1C ZINC000160327448 364336063 /nfs/dbraw/zinc/33/60/63/364336063.db2.gz UNSQFBXVFXRPKE-CYBMUJFWSA-N 1 0 296.436 1.743 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159945976 364284572 /nfs/dbraw/zinc/28/45/72/364284572.db2.gz OGAPZJWROIHKGN-UHFFFAOYSA-N 1 0 278.312 1.116 20 70 CDIDRO CCc1ncnc(NCC[N@H+](C)CCCOC)c1F ZINC000160050257 364298464 /nfs/dbraw/zinc/29/84/64/364298464.db2.gz XBNKNOIHEGFVFX-UHFFFAOYSA-N 1 0 270.352 1.558 20 70 CDIDRO Cc1ccc(OCCCC(=O)NCCC[NH3+])cc1C ZINC000160178100 364314259 /nfs/dbraw/zinc/31/42/59/364314259.db2.gz MYPIFBBUSVEMMB-UHFFFAOYSA-N 1 0 264.369 1.927 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000160620646 364382546 /nfs/dbraw/zinc/38/25/46/364382546.db2.gz PNTVZSPYLTWFRL-KGLIPLIRSA-N 1 0 261.369 1.110 20 70 CDIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000160733000 364401310 /nfs/dbraw/zinc/40/13/10/364401310.db2.gz LGTUHRLFRYIWGR-JQWIXIFHSA-N 1 0 296.392 1.156 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)NCC[C@@H](O)c2ccccc2)C1 ZINC000160848155 364419096 /nfs/dbraw/zinc/41/90/96/364419096.db2.gz NQHDNLXUALZGOX-MELADBBJSA-N 1 0 262.353 1.354 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000161165992 364457920 /nfs/dbraw/zinc/45/79/20/364457920.db2.gz OPHGFEYHHXFRLO-BBRMVZONSA-N 1 0 276.380 1.878 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)c1ccc(C)cc1 ZINC000161336958 364479188 /nfs/dbraw/zinc/47/91/88/364479188.db2.gz HZFWXRRNCXWERY-ZDUSSCGKSA-N 1 0 260.337 1.388 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000161411236 364490041 /nfs/dbraw/zinc/49/00/41/364490041.db2.gz WMSQWAYPWVIRDC-IIAWOOMASA-N 1 0 290.407 1.957 20 70 CDIDRO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217543752 373715427 /nfs/dbraw/zinc/71/54/27/373715427.db2.gz GOARFNZJNPDSKM-GJZGRUSLSA-N 1 0 283.460 1.988 20 70 CDIDRO C[C@H](C[NH2+]C[C@@H](O)COCc1cccs1)N(C)C1CC1 ZINC000218709344 412948934 /nfs/dbraw/zinc/94/89/34/412948934.db2.gz JPMGQBKXTAMYJX-TZMCWYRMSA-N 1 0 298.452 1.698 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC000160770010 533036775 /nfs/dbraw/zinc/03/67/75/533036775.db2.gz OTDYMVXRMPKADN-KBPBESRZSA-N 1 0 276.380 1.912 20 70 CDIDRO CN(C(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000160439642 390979208 /nfs/dbraw/zinc/97/92/08/390979208.db2.gz KXDXTOWWDYWCLC-NSHDSACASA-N 1 0 262.309 1.472 20 70 CDIDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(Cl)nc(C2CC2)n1 ZINC000217459422 392959244 /nfs/dbraw/zinc/95/92/44/392959244.db2.gz CFLAGUBNEUUMCB-NSHDSACASA-N 1 0 295.818 1.665 20 70 CDIDRO CN(C(=O)Cc1noc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159883934 139907166 /nfs/dbraw/zinc/90/71/66/139907166.db2.gz MGXLBTUVWDRKDL-CYBMUJFWSA-N 1 0 273.336 1.566 20 70 CDIDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc2c1OCO2 ZINC000159983353 139907906 /nfs/dbraw/zinc/90/79/06/139907906.db2.gz LEJLKMXCXJYIAJ-GHMZBOCLSA-N 1 0 278.352 1.606 20 70 CDIDRO CCc1ncnc(NC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000218011144 140165370 /nfs/dbraw/zinc/16/53/70/140165370.db2.gz DGOAWTDTZGDVOA-JTQLQIEISA-N 1 0 252.337 1.932 20 70 CDIDRO CNC(=O)c1cc(C)ccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000160618172 147721303 /nfs/dbraw/zinc/72/13/03/147721303.db2.gz KXXJTMRQOKMEIX-LLVKDONJSA-N 1 0 275.352 1.435 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000160480961 277042254 /nfs/dbraw/zinc/04/22/54/277042254.db2.gz XSBBZSQBUPRUPE-BFHYXJOUSA-N 1 0 262.328 1.750 20 70 CDIDRO CO[C@H]1CCN(C(=O)CC2CCCCC2)[C@H](C[NH3+])C1 ZINC000161122599 277338424 /nfs/dbraw/zinc/33/84/24/277338424.db2.gz STIPKHGGAPRIFF-KBPBESRZSA-N 1 0 268.401 1.922 20 70 CDIDRO Cc1ccc2nc(CN(C)[C@H](C[NH3+])C3CC3)cn2c1 ZINC000160006101 281153610 /nfs/dbraw/zinc/15/36/10/281153610.db2.gz DPKGUGURCSFUTB-CQSZACIVSA-N 1 0 258.369 1.812 20 70 CDIDRO COc1cc(OC)nc(N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000159777929 295014443 /nfs/dbraw/zinc/01/44/43/295014443.db2.gz QMQDTSKVHYWTHW-LLVKDONJSA-N 1 0 280.372 1.780 20 70 CDIDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000159631038 482736893 /nfs/dbraw/zinc/73/68/93/482736893.db2.gz SAPXDLZKFVLRIA-CYBMUJFWSA-N 1 0 287.367 1.638 20 70 CDIDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160247331 482791656 /nfs/dbraw/zinc/79/16/56/482791656.db2.gz PUUUKYWTGBGKNX-BFHYXJOUSA-N 1 0 295.427 1.125 20 70 CDIDRO CC(C)OCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000160378538 482796820 /nfs/dbraw/zinc/79/68/20/482796820.db2.gz WOBFHJMEUQIALT-CQSZACIVSA-N 1 0 262.353 1.415 20 70 CDIDRO Cc1ccc(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161121478 482861453 /nfs/dbraw/zinc/86/14/53/482861453.db2.gz UTRKNQFPCVAISW-CHWSQXEVSA-N 1 0 260.337 1.564 20 70 CDIDRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCSCC2)C1 ZINC000161478586 482879776 /nfs/dbraw/zinc/87/97/76/482879776.db2.gz WZPXKORYALEKGP-GFCCVEGCSA-N 1 0 292.470 1.097 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000160538599 519722371 /nfs/dbraw/zinc/72/23/71/519722371.db2.gz CMLFCESEYFODBX-CHWSQXEVSA-N 1 0 254.374 1.402 20 70 CDIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)on1 ZINC000161313629 522031042 /nfs/dbraw/zinc/03/10/42/522031042.db2.gz AJTXDMGIEUVHRN-QWRGUYRKSA-N 1 0 265.357 1.870 20 70 CDIDRO COCCC[N@H+](C)CCNC(=O)c1scnc1C ZINC000161063141 523225218 /nfs/dbraw/zinc/22/52/18/523225218.db2.gz DQVPTGYKBYKNJY-UHFFFAOYSA-N 1 0 271.386 1.150 20 70 CDIDRO COC(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CCSC)c1 ZINC000159644441 523373719 /nfs/dbraw/zinc/37/37/19/523373719.db2.gz HLOMQKMVZDULKY-GFCCVEGCSA-N 1 0 296.392 1.421 20 70 CDIDRO CO[C@H]1CCN(C(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000161127343 523990808 /nfs/dbraw/zinc/99/08/08/523990808.db2.gz FPXJFSUPFRMBCG-KGLIPLIRSA-N 1 0 262.353 1.194 20 70 CDIDRO Cn1cnnc1[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161463853 527534463 /nfs/dbraw/zinc/53/44/63/527534463.db2.gz OGNMUFXBDBRCBC-AWEZNQCLSA-N 1 0 277.416 1.828 20 70 CDIDRO CC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n(C)c1 ZINC000160902167 539086288 /nfs/dbraw/zinc/08/62/88/539086288.db2.gz IDTJNWRBAQEBBH-NWDGAFQWSA-N 1 0 263.341 1.227 20 70 CDIDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159562791 361737463 /nfs/dbraw/zinc/73/74/63/361737463.db2.gz RLPLQPOWPBDQIQ-HZSPNIEDSA-N 1 0 278.396 1.873 20 70 CDIDRO COCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159725098 361813347 /nfs/dbraw/zinc/81/33/47/361813347.db2.gz QUSQMIQYKJMKRW-CHWSQXEVSA-N 1 0 268.401 1.602 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1nncn1Cc1ccccc1 ZINC000161154351 342391392 /nfs/dbraw/zinc/39/13/92/342391392.db2.gz PTULCCMQFKYQDM-UHFFFAOYSA-N 1 0 287.367 1.653 20 70 CDIDRO COc1ccccc1OCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159428140 362321252 /nfs/dbraw/zinc/32/12/52/362321252.db2.gz LGGMLLATEVWTGW-OLZOCXBDSA-N 1 0 265.353 1.777 20 70 CDIDRO COc1cc(OC)cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159785544 362370129 /nfs/dbraw/zinc/37/01/29/362370129.db2.gz XFWLENFMSPLHSA-CQSZACIVSA-N 1 0 278.352 1.513 20 70 CDIDRO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866875 362377141 /nfs/dbraw/zinc/37/71/41/362377141.db2.gz DPHSJEGIPOXNEK-RKDXNWHRSA-N 1 0 281.322 1.113 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000160016317 362387216 /nfs/dbraw/zinc/38/72/16/362387216.db2.gz AYNRNLBHEZURSL-HNNXBMFYSA-N 1 0 275.396 1.911 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1 ZINC000161297304 362433140 /nfs/dbraw/zinc/43/31/40/362433140.db2.gz AZTLKERZVRBECE-CQSZACIVSA-N 1 0 292.354 1.999 20 70 CDIDRO CC[C@](C)(O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160919401 362547343 /nfs/dbraw/zinc/54/73/43/362547343.db2.gz ZAAJLZBCVSHDQI-HOCLYGCPSA-N 1 0 299.459 1.957 20 70 CDIDRO CC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160742746 346480359 /nfs/dbraw/zinc/48/03/59/346480359.db2.gz NOWVRQUNKUCGOA-ZIAGYGMSSA-N 1 0 281.400 1.291 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000161360676 362794743 /nfs/dbraw/zinc/79/47/43/362794743.db2.gz JLFSATKTSRWMKX-SNVBAGLBSA-N 1 0 275.308 1.759 20 70 CDIDRO CNC(=O)[C@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161395011 362952232 /nfs/dbraw/zinc/95/22/32/362952232.db2.gz VCXGBXMFVZRVEV-CYBMUJFWSA-N 1 0 255.406 1.176 20 70 CDIDRO O=C(NC[C@@H](O)c1ccsc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161498639 363099226 /nfs/dbraw/zinc/09/92/26/363099226.db2.gz NQAWPRCQARVLOQ-SCUASFONSA-N 1 0 294.420 1.818 20 70 CDIDRO [NH3+]CCCNC(=O)Cc1csc(-c2cccs2)n1 ZINC000160143665 188457063 /nfs/dbraw/zinc/45/70/63/188457063.db2.gz XLMQAEYRGMJXJG-UHFFFAOYSA-N 1 0 281.406 1.879 20 70 CDIDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160594564 188483166 /nfs/dbraw/zinc/48/31/66/188483166.db2.gz FWVWRNZEAFUTDT-JTQLQIEISA-N 1 0 268.332 1.903 20 70 CDIDRO CN(CC(=O)Nc1nnc2ccccn21)[C@H]1CCSC1 ZINC000159871421 363387707 /nfs/dbraw/zinc/38/77/07/363387707.db2.gz PWOHSCDXRTZPCN-JTQLQIEISA-N 1 0 291.380 1.105 20 70 CDIDRO CC1CC[NH+](CCSCCN2CCOCC2)CC1 ZINC000160002237 363577423 /nfs/dbraw/zinc/57/74/23/363577423.db2.gz CDXMNFVBMJGVHM-UHFFFAOYSA-N 1 0 272.458 1.784 20 70 CDIDRO CC1(C)CN([C@H]2CCOC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000216906321 358968638 /nfs/dbraw/zinc/96/86/38/358968638.db2.gz HLTDRRFFAUDKRE-HNNXBMFYSA-N 1 0 288.391 1.898 20 70 CDIDRO [NH3+]C[C@@H]1CN(c2ccncc2Br)CCO1 ZINC000159793980 283487979 /nfs/dbraw/zinc/48/79/79/283487979.db2.gz LDPBFVBXLRVPNH-MRVPVSSYSA-N 1 0 272.146 1.008 20 70 CDIDRO COC(=O)c1ccc(NC(=O)[C@H](C)[NH3+])cc1Cl ZINC000161061491 360542172 /nfs/dbraw/zinc/54/21/72/360542172.db2.gz BZHOTPRVUADUII-LURJTMIESA-N 1 0 256.689 1.412 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CCCC[NH2+]1 ZINC000161002079 361615030 /nfs/dbraw/zinc/61/50/30/361615030.db2.gz WKMJIQXFKJRWJI-ZETCQYMHSA-N 1 0 293.314 1.920 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C(C)(C)C ZINC000160421294 363862213 /nfs/dbraw/zinc/86/22/13/363862213.db2.gz QWMDXMUEYXVTQQ-CYBMUJFWSA-N 1 0 297.443 1.385 20 70 CDIDRO CCc1c(C(=O)N2CC[NH2+]CC2)[nH]c(C)c1C(C)=O ZINC000159386058 364196204 /nfs/dbraw/zinc/19/62/04/364196204.db2.gz PENOPOJANWOHQW-UHFFFAOYSA-N 1 0 263.341 1.134 20 70 CDIDRO CC[N@H+](C)[C@@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000159420748 364203102 /nfs/dbraw/zinc/20/31/02/364203102.db2.gz SMSMNGIOKIODLX-CQSZACIVSA-N 1 0 261.369 1.111 20 70 CDIDRO C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000159432594 364204257 /nfs/dbraw/zinc/20/42/57/364204257.db2.gz BQXXLDIRZIDGBQ-IUCAKERBSA-N 1 0 272.295 1.604 20 70 CDIDRO C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1cccnc1 ZINC000159458732 364210380 /nfs/dbraw/zinc/21/03/80/364210380.db2.gz WTSAHZKFTAMIIC-JSGCOSHPSA-N 1 0 277.368 1.197 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000159362169 364191361 /nfs/dbraw/zinc/19/13/61/364191361.db2.gz ZIIZXKSTXFWNKZ-AWEZNQCLSA-N 1 0 263.385 1.821 20 70 CDIDRO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)c1 ZINC000159361970 364191446 /nfs/dbraw/zinc/19/14/46/364191446.db2.gz OAGTZUYESRAJLE-RYUDHWBXSA-N 1 0 280.368 1.013 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000159559928 364235604 /nfs/dbraw/zinc/23/56/04/364235604.db2.gz GATREEZWOXMRJW-QWRGUYRKSA-N 1 0 284.787 1.657 20 70 CDIDRO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@H]1CCC[C@@H]1O ZINC000159630345 364243304 /nfs/dbraw/zinc/24/33/04/364243304.db2.gz UUDCKYWVDRLUMC-RISCZKNCSA-N 1 0 280.343 1.857 20 70 CDIDRO CCOC(=O)N[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159747014 364260787 /nfs/dbraw/zinc/26/07/87/364260787.db2.gz WPYNJNWVLNLTPO-GFCCVEGCSA-N 1 0 266.345 1.094 20 70 CDIDRO COc1ccc(OC)c(CCC(=O)NCC(C)(C)[NH3+])c1 ZINC000159929694 364282415 /nfs/dbraw/zinc/28/24/15/364282415.db2.gz XFYDDYYIDGDUNN-UHFFFAOYSA-N 1 0 280.368 1.490 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)NCC(C)(C)[NH3+])c12 ZINC000160030705 364296877 /nfs/dbraw/zinc/29/68/77/364296877.db2.gz HCRSGDFXPFAPPQ-UHFFFAOYSA-N 1 0 262.313 1.307 20 70 CDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCC[NH3+])c1 ZINC000160118870 364308799 /nfs/dbraw/zinc/30/87/99/364308799.db2.gz LXFMNDFCASRFKO-MFKMUULPSA-N 1 0 275.352 1.360 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2c(C)noc2Cl)C1 ZINC000160501863 364363677 /nfs/dbraw/zinc/36/36/77/364363677.db2.gz DKEQQOXLDYLLMO-VIFPVBQESA-N 1 0 271.748 1.389 20 70 CDIDRO C[NH2+]CC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160552466 364372359 /nfs/dbraw/zinc/37/23/59/364372359.db2.gz KCGFPJWLSJRITG-NSHDSACASA-N 1 0 250.342 1.524 20 70 CDIDRO COc1ccc([C@H](C)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000160860530 364421172 /nfs/dbraw/zinc/42/11/72/364421172.db2.gz MDBAFYFYFSLIDN-LBPRGKRZSA-N 1 0 262.353 1.621 20 70 CDIDRO CN(CC[NH2+]Cc1cncnc1)C(=O)OC(C)(C)C ZINC000218182541 367261149 /nfs/dbraw/zinc/26/11/49/367261149.db2.gz MYMCXWKJDTXIOA-UHFFFAOYSA-N 1 0 266.345 1.433 20 70 CDIDRO CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160463523 369758307 /nfs/dbraw/zinc/75/83/07/369758307.db2.gz OKTXXDGKEDBYKE-HUUCEWRRSA-N 1 0 295.427 1.091 20 70 CDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C)C1 ZINC000218001623 375774859 /nfs/dbraw/zinc/77/48/59/375774859.db2.gz AHXCYFVWNDQNCX-OLZOCXBDSA-N 1 0 253.390 1.912 20 70 CDIDRO Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000160284927 377044101 /nfs/dbraw/zinc/04/41/01/377044101.db2.gz IMABWWOAXLNYFF-WDEREUQCSA-N 1 0 282.771 1.975 20 70 CDIDRO CCOC[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160066604 377000791 /nfs/dbraw/zinc/00/07/91/377000791.db2.gz IFTHTMZFIRHMQL-STQMWFEESA-N 1 0 254.374 1.261 20 70 CDIDRO CN(CC(=O)Nc1ccc2c(c1)CCC2)[C@@H](C[NH3+])C1CC1 ZINC000160088558 392495935 /nfs/dbraw/zinc/49/59/35/392495935.db2.gz ZVWLRNQTTDLZBR-INIZCTEOSA-N 1 0 287.407 1.783 20 70 CDIDRO CCC[N@H+](CC)CCNCc1cnc(N(C)C)n1C ZINC000217642014 392963969 /nfs/dbraw/zinc/96/39/69/392963969.db2.gz GUOCRMJQEWGJJB-UHFFFAOYSA-N 1 0 267.421 1.308 20 70 CDIDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000218050510 140164337 /nfs/dbraw/zinc/16/43/37/140164337.db2.gz SWFGIYIWLMKYQW-NWDGAFQWSA-N 1 0 282.384 1.319 20 70 CDIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159698366 147699589 /nfs/dbraw/zinc/69/95/89/147699589.db2.gz LANJUKHPTJHYCM-MRVPVSSYSA-N 1 0 278.278 1.757 20 70 CDIDRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)OC(C)C ZINC000160147499 147709153 /nfs/dbraw/zinc/70/91/53/147709153.db2.gz TWHVNDFYSFDFPK-OLZOCXBDSA-N 1 0 284.400 1.469 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCC2 ZINC000160993990 286271156 /nfs/dbraw/zinc/27/11/56/286271156.db2.gz VQAYRFDHCQUDCS-IJLUTSLNSA-N 1 0 268.401 1.824 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])NC(=O)C1CCCC1 ZINC000160356436 286794814 /nfs/dbraw/zinc/79/48/14/286794814.db2.gz PZSYUOJBEHPDAR-WCQYABFASA-N 1 0 281.400 1.021 20 70 CDIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000160826050 287393801 /nfs/dbraw/zinc/39/38/01/287393801.db2.gz WOBMAWLJHVYZKN-UKRRQHHQSA-N 1 0 270.417 1.632 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000159471532 276267297 /nfs/dbraw/zinc/26/72/97/276267297.db2.gz RBURCOLUTBOFPO-KBPBESRZSA-N 1 0 268.401 1.794 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(C)c2)[C@H](C[NH3+])C1 ZINC000161113183 277291727 /nfs/dbraw/zinc/29/17/27/277291727.db2.gz GYPGSZJEDPIPHC-UONOGXRCSA-N 1 0 262.353 1.573 20 70 CDIDRO C[C@@H](CNC(=O)N(C)CC1CCOCC1)C[NH+]1CCCC1 ZINC000159744708 292767716 /nfs/dbraw/zinc/76/77/16/292767716.db2.gz HETOFJNTDBUVKZ-AWEZNQCLSA-N 1 0 297.443 1.786 20 70 CDIDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC000160697416 292792858 /nfs/dbraw/zinc/79/28/58/292792858.db2.gz RTPBNEDXYROGDM-UHFFFAOYSA-N 1 0 297.399 1.158 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCCCc1cccc(Br)c1 ZINC000159519877 482681756 /nfs/dbraw/zinc/68/17/56/482681756.db2.gz IGWRBNUZXBTNPB-SECBINFHSA-N 1 0 285.185 1.845 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000161132378 519588646 /nfs/dbraw/zinc/58/86/46/519588646.db2.gz WSFFGDXFICYUMK-UHFFFAOYSA-N 1 0 295.427 1.093 20 70 CDIDRO COC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000161017817 522734447 /nfs/dbraw/zinc/73/44/47/522734447.db2.gz NASGYBQRKJLMCC-HNNXBMFYSA-N 1 0 292.379 1.326 20 70 CDIDRO CC[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160812679 523504000 /nfs/dbraw/zinc/50/40/00/523504000.db2.gz UPQDCJFGPQQWNK-WFASDCNBSA-N 1 0 283.416 1.464 20 70 CDIDRO CC[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160812808 523668203 /nfs/dbraw/zinc/66/82/03/523668203.db2.gz UPQDCJFGPQQWNK-SWLSCSKDSA-N 1 0 283.416 1.464 20 70 CDIDRO Cc1csc(N2CCC([NH2+]CC(C)(C)O)CC2)n1 ZINC000160600549 526376273 /nfs/dbraw/zinc/37/62/73/526376273.db2.gz UVZCZOPKRJNVOE-UHFFFAOYSA-N 1 0 269.414 1.781 20 70 CDIDRO Cc1noc(COc2ccc(NC(=O)[C@H](C)[NH3+])cc2)n1 ZINC000159662839 361761185 /nfs/dbraw/zinc/76/11/85/361761185.db2.gz YSWABXBAPSKMDT-QMMMGPOBSA-N 1 0 276.296 1.243 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)CC2 ZINC000160405811 282126121 /nfs/dbraw/zinc/12/61/21/282126121.db2.gz RFBPGUBUTABSFS-GXFFZTMASA-N 1 0 286.383 1.659 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cncs1)CC2 ZINC000160401638 282126182 /nfs/dbraw/zinc/12/61/82/282126182.db2.gz MFVOZIQKSQCMQT-WCBMZHEXSA-N 1 0 263.370 1.709 20 70 CDIDRO CCOCCC1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000159800164 539114737 /nfs/dbraw/zinc/11/47/37/539114737.db2.gz LHABZFXWEZKSNJ-CQSZACIVSA-N 1 0 297.443 1.834 20 70 CDIDRO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)[NH+](C)C ZINC000160818862 539116904 /nfs/dbraw/zinc/11/69/04/539116904.db2.gz OFTAFWXGMSSMEK-KBPBESRZSA-N 1 0 295.427 1.234 20 70 CDIDRO CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159526891 362115809 /nfs/dbraw/zinc/11/58/09/362115809.db2.gz PRWSCAGPZQQMLK-DTWKUNHWSA-N 1 0 299.321 1.850 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000217111650 342439453 /nfs/dbraw/zinc/43/94/53/342439453.db2.gz LSAYYFOLVNTQTO-IXKAHESDSA-N 1 0 250.386 1.912 20 70 CDIDRO C[C@H](CNC(=O)NC1(C)CCC1)C[NH+]1CCCC1 ZINC000159546622 362267835 /nfs/dbraw/zinc/26/78/35/362267835.db2.gz FECCMAIKEXQMDI-GFCCVEGCSA-N 1 0 253.390 1.960 20 70 CDIDRO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]([NH3+])COC)cc1 ZINC000159438852 362322458 /nfs/dbraw/zinc/32/24/58/362322458.db2.gz KXQAMMOXBNDHJH-CYBMUJFWSA-N 1 0 293.367 1.081 20 70 CDIDRO CCC(CC)[C@@H](O)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000159760524 362364537 /nfs/dbraw/zinc/36/45/37/362364537.db2.gz LUELQIYFNBUHQX-AWEZNQCLSA-N 1 0 264.369 1.672 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159635096 363089988 /nfs/dbraw/zinc/08/99/88/363089988.db2.gz WSYKPJZRQNTGKM-WDEREUQCSA-N 1 0 271.430 1.521 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(-n2cnnn2)cc1 ZINC000160644656 188484348 /nfs/dbraw/zinc/48/43/48/188484348.db2.gz BBJDEZCAHBQASR-JTQLQIEISA-N 1 0 261.329 1.084 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)Cc1cccs1 ZINC000161093813 188507923 /nfs/dbraw/zinc/50/79/23/188507923.db2.gz SEOREMPSYPMBAZ-MNOVXSKESA-N 1 0 254.399 1.898 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C)CC1 ZINC000159826657 363356642 /nfs/dbraw/zinc/35/66/42/363356642.db2.gz VXMLTFDWRCCDID-QWHCGFSZSA-N 1 0 253.390 1.912 20 70 CDIDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000161293148 538853462 /nfs/dbraw/zinc/85/34/62/538853462.db2.gz IVBYPYTVQKEEMI-UHFFFAOYSA-N 1 0 283.335 1.142 20 70 CDIDRO Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1C(=O)N(C)C ZINC000160517348 359608997 /nfs/dbraw/zinc/60/89/97/359608997.db2.gz NBCPHNBYRPFQQO-AWEZNQCLSA-N 1 0 289.379 1.777 20 70 CDIDRO Cc1cccc(OC[C@H](O)C[NH2+]CC2(CO)CCCC2)c1 ZINC000160138352 363685026 /nfs/dbraw/zinc/68/50/26/363685026.db2.gz ZKQYGYFTJCSVIU-OAHLLOKOSA-N 1 0 293.407 1.877 20 70 CDIDRO O=C(Nc1cnn(CC(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000160990670 360683786 /nfs/dbraw/zinc/68/37/86/360683786.db2.gz GPSSVUDCFWPPGG-QMMMGPOBSA-N 1 0 258.272 1.086 20 70 CDIDRO Cc1ccc(N2CC[C@@H]([N@@H+](C)C[C@@H](C)O)C2=O)cc1 ZINC000159397891 361683479 /nfs/dbraw/zinc/68/34/79/361683479.db2.gz BOKXQFZGRSXSIM-TZMCWYRMSA-N 1 0 262.353 1.413 20 70 CDIDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159472416 364213757 /nfs/dbraw/zinc/21/37/57/364213757.db2.gz QQUDYYXXMFOTMM-GHMZBOCLSA-N 1 0 268.332 1.774 20 70 CDIDRO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c1 ZINC000159362122 364191728 /nfs/dbraw/zinc/19/17/28/364191728.db2.gz OAGTZUYESRAJLE-NEPJUHHUSA-N 1 0 280.368 1.013 20 70 CDIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000159823931 364270164 /nfs/dbraw/zinc/27/01/64/364270164.db2.gz NWJIHLMJLMRUML-UHFFFAOYSA-N 1 0 299.378 1.559 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])s1 ZINC000159505890 364223440 /nfs/dbraw/zinc/22/34/40/364223440.db2.gz ACYDKJWREMIGLU-MKHNBGRSSA-N 1 0 279.365 1.658 20 70 CDIDRO Cc1c(CNC(=O)NCC[NH+]2CCC(C)CC2)cnn1C ZINC000160217973 364319364 /nfs/dbraw/zinc/31/93/64/364319364.db2.gz XGMNSEFEGPYCMX-UHFFFAOYSA-N 1 0 293.415 1.260 20 70 CDIDRO CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])[nH]n1 ZINC000160349794 364337869 /nfs/dbraw/zinc/33/78/69/364337869.db2.gz RNKZWDHBMJYJRZ-SECBINFHSA-N 1 0 250.346 1.271 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159952870 364284447 /nfs/dbraw/zinc/28/44/47/364284447.db2.gz SJJSKJILOBVGDG-AAEUAGOBSA-N 1 0 293.342 1.031 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(SC)cc2)C1 ZINC000160542511 364371403 /nfs/dbraw/zinc/37/14/03/364371403.db2.gz HZHAMQUTGKYVCV-NEPJUHHUSA-N 1 0 294.420 1.996 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000160726530 364401271 /nfs/dbraw/zinc/40/12/71/364401271.db2.gz XLVPKFGRARXETI-AWEZNQCLSA-N 1 0 258.365 1.830 20 70 CDIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160971391 364434017 /nfs/dbraw/zinc/43/40/17/364434017.db2.gz XAYJAZPZIVPZSE-NSHDSACASA-N 1 0 277.368 1.036 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000160971648 364434266 /nfs/dbraw/zinc/43/42/66/364434266.db2.gz VQBCGSUSSKNYGN-WLRWDXFRSA-N 1 0 282.409 1.599 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000161246709 367807331 /nfs/dbraw/zinc/80/73/31/367807331.db2.gz ZBXWEMQQPCGIFC-GFCCVEGCSA-N 1 0 268.307 1.718 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(COC)cc1 ZINC000161328713 370231315 /nfs/dbraw/zinc/23/13/15/370231315.db2.gz OORRPVDDOSJVQP-AWEZNQCLSA-N 1 0 262.353 1.657 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CSC[C@@H]1CCCCO1 ZINC000160326615 377057375 /nfs/dbraw/zinc/05/73/75/377057375.db2.gz HOGFGZAMJXOYER-NEPJUHHUSA-N 1 0 272.414 1.238 20 70 CDIDRO CCC(=O)N1CCCC[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000160416849 377061898 /nfs/dbraw/zinc/06/18/98/377061898.db2.gz PJEMWLGFFPDBQA-LBPRGKRZSA-N 1 0 283.416 1.411 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000160554046 377087462 /nfs/dbraw/zinc/08/74/62/377087462.db2.gz KGWFTXMBJAGDDP-STQMWFEESA-N 1 0 286.416 1.594 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)C(C)(C)C[NH3+] ZINC000161171548 390955330 /nfs/dbraw/zinc/95/53/30/390955330.db2.gz ZKZFESDINNABDU-GFCCVEGCSA-N 1 0 264.369 1.863 20 70 CDIDRO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000218124314 391300901 /nfs/dbraw/zinc/30/09/01/391300901.db2.gz VFCUZTGGSNSNDT-UHFFFAOYSA-N 1 0 297.399 1.065 20 70 CDIDRO CN(C(=O)[C@@H]1COc2ccccc2O1)[C@@H](C[NH3+])C1CC1 ZINC000159784077 139905410 /nfs/dbraw/zinc/90/54/10/139905410.db2.gz PXNRDIXSTJBASM-FZMZJTMJSA-N 1 0 276.336 1.022 20 70 CDIDRO Cn1ncc(N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1=O ZINC000159890108 139906625 /nfs/dbraw/zinc/90/66/25/139906625.db2.gz TWEDIHISZAYQIW-UHFFFAOYSA-N 1 0 296.802 1.402 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCNC(=O)CC(C)C ZINC000160418971 139911029 /nfs/dbraw/zinc/91/10/29/139911029.db2.gz SXGPVDZMPMRVKP-UHFFFAOYSA-N 1 0 271.405 1.173 20 70 CDIDRO CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160066228 147708940 /nfs/dbraw/zinc/70/89/40/147708940.db2.gz IFTHTMZFIRHMQL-CHWSQXEVSA-N 1 0 254.374 1.261 20 70 CDIDRO CO[C@H]1CCN(C(=O)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000161146980 286048104 /nfs/dbraw/zinc/04/81/04/286048104.db2.gz HDFHOZKIFYBFAE-STQMWFEESA-N 1 0 269.389 1.276 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000161111567 286054860 /nfs/dbraw/zinc/05/48/60/286054860.db2.gz OUJUYCBLCKTVTG-STQMWFEESA-N 1 0 266.316 1.404 20 70 CDIDRO CCOCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000160392495 286056673 /nfs/dbraw/zinc/05/66/73/286056673.db2.gz FZIMTQUXRDOPJP-AWEZNQCLSA-N 1 0 284.400 1.126 20 70 CDIDRO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000217229462 413458892 /nfs/dbraw/zinc/45/88/92/413458892.db2.gz NMTLEZHGOPOLDE-VIFPVBQESA-N 1 0 268.744 1.783 20 70 CDIDRO COC1(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000161029765 277462572 /nfs/dbraw/zinc/46/25/72/277462572.db2.gz JJKZPORXRURZEA-UONOGXRCSA-N 1 0 280.412 1.840 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000161257817 282072321 /nfs/dbraw/zinc/07/23/21/282072321.db2.gz OVQBZUJCTUPKMY-OLZOCXBDSA-N 1 0 270.417 1.929 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCOCc2ccc(OC)cc2)C1 ZINC000160585547 482812436 /nfs/dbraw/zinc/81/24/36/482812436.db2.gz KFWPOWISQFFSCS-CQSZACIVSA-N 1 0 292.379 1.422 20 70 CDIDRO Cc1ccc(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161121353 482861569 /nfs/dbraw/zinc/86/15/69/482861569.db2.gz UTRKNQFPCVAISW-STQMWFEESA-N 1 0 260.337 1.564 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000161127049 482862795 /nfs/dbraw/zinc/86/27/95/482862795.db2.gz GVQOZBHQUWIXED-IUODEOHRSA-N 1 0 294.395 1.952 20 70 CDIDRO CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161274114 482871148 /nfs/dbraw/zinc/87/11/48/482871148.db2.gz NQMKEWUBQGDXIG-SDDRHHMPSA-N 1 0 299.440 1.074 20 70 CDIDRO CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160761776 519221833 /nfs/dbraw/zinc/22/18/33/519221833.db2.gz JUCFKZCWVHMPGX-ZFWWWQNUSA-N 1 0 298.427 1.153 20 70 CDIDRO CC(C)(C[NH3+])C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000161429304 519231181 /nfs/dbraw/zinc/23/11/81/519231181.db2.gz YZGMNQGGUKOZIP-WDEREUQCSA-N 1 0 256.415 1.858 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000160363408 519851120 /nfs/dbraw/zinc/85/11/20/519851120.db2.gz XVNWWHGWUWLEQR-UHFFFAOYSA-N 1 0 280.368 1.984 20 70 CDIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000160728764 520647097 /nfs/dbraw/zinc/64/70/97/520647097.db2.gz SKILFUSXFDKPAE-TVRNETQVSA-N 1 0 292.423 1.777 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000160512141 522392974 /nfs/dbraw/zinc/39/29/74/522392974.db2.gz GXNPTDVNBZJGEH-GFCCVEGCSA-N 1 0 269.348 1.977 20 70 CDIDRO CNC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161388472 524071008 /nfs/dbraw/zinc/07/10/08/524071008.db2.gz PTGJVDPJQARHBK-UHFFFAOYSA-N 1 0 286.379 1.687 20 70 CDIDRO COc1csc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c1 ZINC000161076196 524947856 /nfs/dbraw/zinc/94/78/56/524947856.db2.gz HJSDRYMPYSSHKW-UWVGGRQHSA-N 1 0 284.381 1.335 20 70 CDIDRO CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160195235 526962501 /nfs/dbraw/zinc/96/25/01/526962501.db2.gz YYVNDVOIKWSMDK-AWEZNQCLSA-N 1 0 275.352 1.137 20 70 CDIDRO O=C(NCCc1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000159668873 361772092 /nfs/dbraw/zinc/77/20/92/361772092.db2.gz QKGQILNMYDJYDI-NSHDSACASA-N 1 0 268.307 1.623 20 70 CDIDRO CCCC[C@H](COC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159883352 361891059 /nfs/dbraw/zinc/89/10/59/361891059.db2.gz CYFKMOCWRKZTPM-CQSZACIVSA-N 1 0 285.432 1.929 20 70 CDIDRO COC1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC000159406296 539114082 /nfs/dbraw/zinc/11/40/82/539114082.db2.gz PQKWPZHWFVWBFO-CQSZACIVSA-N 1 0 298.427 1.563 20 70 CDIDRO Cc1cc(CN2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000161364490 539117604 /nfs/dbraw/zinc/11/76/04/539117604.db2.gz MAAMZJYPLSKGKU-UHFFFAOYSA-N 1 0 258.325 1.700 20 70 CDIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(CO)COC2)n1 ZINC000160145895 362038184 /nfs/dbraw/zinc/03/81/84/362038184.db2.gz JNTGIISFLJKLCP-AWEZNQCLSA-N 1 0 262.353 1.536 20 70 CDIDRO CCC[C@@H]1CN(Cc2nnc(CC)[nH]2)CC[N@@H+]1CCOC ZINC000160192769 362050235 /nfs/dbraw/zinc/05/02/35/362050235.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 1 0 295.431 1.300 20 70 CDIDRO CN(CCC[NH+]1CCCCC1)Cc1cnn(C)c1 ZINC000160377121 529887252 /nfs/dbraw/zinc/88/72/52/529887252.db2.gz OWTOVSIRWHSKLM-UHFFFAOYSA-N 1 0 250.390 1.728 20 70 CDIDRO CCCN(Cc1ccccc1)C(=O)[C@H]([NH3+])COC ZINC000159628522 362353954 /nfs/dbraw/zinc/35/39/54/362353954.db2.gz MNASOBMKABOUQR-CYBMUJFWSA-N 1 0 250.342 1.399 20 70 CDIDRO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)C1CC1 ZINC000160436148 362424601 /nfs/dbraw/zinc/42/46/01/362424601.db2.gz ZRZVGDKANLUQDF-AWEZNQCLSA-N 1 0 267.417 1.317 20 70 CDIDRO CCCC[C@H](COC)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000161165692 362707294 /nfs/dbraw/zinc/70/72/94/362707294.db2.gz NJZUUUJAHFEVMJ-HUUCEWRRSA-N 1 0 278.396 1.878 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000161383843 362914603 /nfs/dbraw/zinc/91/46/03/362914603.db2.gz GRASECYXPQSDAK-CQSZACIVSA-N 1 0 290.411 1.396 20 70 CDIDRO Cn1nccc1/C=C/C(=O)NCC1([NH3+])CCCCC1 ZINC000159709159 363213528 /nfs/dbraw/zinc/21/35/28/363213528.db2.gz KPSGUOJLWUXDRN-AATRIKPKSA-N 1 0 262.357 1.211 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])s1 ZINC000159506031 188429708 /nfs/dbraw/zinc/42/97/08/188429708.db2.gz ACYDKJWREMIGLU-IFFSRLJSSA-N 1 0 279.365 1.658 20 70 CDIDRO COc1ccccc1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160161169 188457537 /nfs/dbraw/zinc/45/75/37/188457537.db2.gz RANGXJJOUMJSHU-ZDUSSCGKSA-N 1 0 262.353 1.578 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000161341289 188522646 /nfs/dbraw/zinc/52/26/46/188522646.db2.gz DSQPRMFILCZORL-JTQLQIEISA-N 1 0 264.373 1.531 20 70 CDIDRO C[NH+]1CCC(CCNC(=O)NCc2ncccc2F)CC1 ZINC000159773367 363295159 /nfs/dbraw/zinc/29/51/59/363295159.db2.gz BXMFRPKTGCFEPP-UHFFFAOYSA-N 1 0 294.374 1.752 20 70 CDIDRO C[N@H+](CCn1cccn1)Cc1cnc2ccccn12 ZINC000160346699 358493098 /nfs/dbraw/zinc/49/30/98/358493098.db2.gz TUDYNTHRHQJLIV-UHFFFAOYSA-N 1 0 255.325 1.663 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)C12CCC2 ZINC000160527764 358726002 /nfs/dbraw/zinc/72/60/02/358726002.db2.gz HUPYZTJKJGNXNT-VXGBXAGGSA-N 1 0 254.374 1.354 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161174707 358790354 /nfs/dbraw/zinc/79/03/54/358790354.db2.gz KNIZLQVBLJFQJV-SWLSCSKDSA-N 1 0 280.343 1.580 20 70 CDIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000159621856 237154012 /nfs/dbraw/zinc/15/40/12/237154012.db2.gz KOHSJTNHGDBFHL-XQLPTFJDSA-N 1 0 282.428 1.951 20 70 CDIDRO O[C@@]1(C(F)(F)F)CCN(CCC[NH+]2CCCCC2)C1 ZINC000161442613 237199584 /nfs/dbraw/zinc/19/95/84/237199584.db2.gz XWRZBXGJSOAGKU-LBPRGKRZSA-N 1 0 280.334 1.862 20 70 CDIDRO CCOc1cc(C[NH2+]CC(=O)N(C)CC)ccc1O ZINC000217394619 360307663 /nfs/dbraw/zinc/30/76/63/360307663.db2.gz ZPKJKTAFDJVVPP-UHFFFAOYSA-N 1 0 266.341 1.359 20 70 CDIDRO CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161273858 482871081 /nfs/dbraw/zinc/87/10/81/482871081.db2.gz NQMKEWUBQGDXIG-QJPTWQEYSA-N 1 0 299.440 1.074 20 70 CDIDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159414026 361698598 /nfs/dbraw/zinc/69/85/98/361698598.db2.gz CUMNOVCFMITQFQ-ZDUSSCGKSA-N 1 0 296.436 1.868 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000159557201 361729368 /nfs/dbraw/zinc/72/93/68/361729368.db2.gz POOJKFOEOFHEIY-BFHYXJOUSA-N 1 0 280.412 1.983 20 70 CDIDRO COCCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160363618 363826115 /nfs/dbraw/zinc/82/61/15/363826115.db2.gz KYITVBGUNZUKGY-AWEZNQCLSA-N 1 0 278.352 1.162 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159823571 364270217 /nfs/dbraw/zinc/27/02/17/364270217.db2.gz VGJHJARPRCRQRF-IUODEOHRSA-N 1 0 260.381 1.979 20 70 CDIDRO COCCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160259064 364325891 /nfs/dbraw/zinc/32/58/91/364325891.db2.gz KUJDNKVRLOYSQB-CYBMUJFWSA-N 1 0 278.352 1.275 20 70 CDIDRO CCOc1ccc(OCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160269017 364327667 /nfs/dbraw/zinc/32/76/67/364327667.db2.gz HQBJEXTVUJDHQQ-GFCCVEGCSA-N 1 0 278.352 1.414 20 70 CDIDRO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000159978268 364289794 /nfs/dbraw/zinc/28/97/94/364289794.db2.gz ZBKNCFFKVJWXPX-GXTWGEPZSA-N 1 0 289.379 1.061 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160071402 364301584 /nfs/dbraw/zinc/30/15/84/364301584.db2.gz TVXDCSVZALBZQQ-UWVGGRQHSA-N 1 0 268.307 1.922 20 70 CDIDRO C[NH2+]CC(=O)NCC1(c2ccccc2Br)CC1 ZINC000160594321 364381381 /nfs/dbraw/zinc/38/13/81/364381381.db2.gz YIRTVYWBBSXITM-UHFFFAOYSA-N 1 0 297.196 1.816 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)NC[C@H](O)c1ccsc1 ZINC000160872409 364422697 /nfs/dbraw/zinc/42/26/97/364422697.db2.gz SYIPJWHOWQMGLY-ZDUSSCGKSA-N 1 0 299.440 1.813 20 70 CDIDRO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000161423848 364490808 /nfs/dbraw/zinc/49/08/08/364490808.db2.gz BMAFTVCHAYUYKC-CFVMTHIKSA-N 1 0 274.364 1.379 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161409361 364844380 /nfs/dbraw/zinc/84/43/80/364844380.db2.gz OEYRUGCFPZTVNX-LBPRGKRZSA-N 1 0 281.331 1.593 20 70 CDIDRO CC(C)([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161191304 367576234 /nfs/dbraw/zinc/57/62/34/367576234.db2.gz KLTNYDPJHNFTTR-UHFFFAOYSA-N 1 0 250.224 1.121 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1c(C)cccc1C ZINC000161370589 373508921 /nfs/dbraw/zinc/50/89/21/373508921.db2.gz AACNUHIKVSSZOC-AWEZNQCLSA-N 1 0 276.380 1.893 20 70 CDIDRO COC1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000161432163 373710911 /nfs/dbraw/zinc/71/09/11/373710911.db2.gz LLVOKSYABQFEDC-STQMWFEESA-N 1 0 298.452 1.642 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000160332775 374107126 /nfs/dbraw/zinc/10/71/26/374107126.db2.gz HZXTVSHRAMMIEI-DZGCQCFKSA-N 1 0 263.337 1.385 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000161497475 375638778 /nfs/dbraw/zinc/63/87/78/375638778.db2.gz VMQYDFJRCXYAEH-SNVBAGLBSA-N 1 0 294.351 1.793 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000160470915 532957446 /nfs/dbraw/zinc/95/74/46/532957446.db2.gz SDLYIBJJHMRNNG-SNVBAGLBSA-N 1 0 286.734 1.678 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC000160770287 532967673 /nfs/dbraw/zinc/96/76/73/532967673.db2.gz OTDYMVXRMPKADN-UONOGXRCSA-N 1 0 276.380 1.912 20 70 CDIDRO C[NH+]1CCN(CCNc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000217962996 130764671 /nfs/dbraw/zinc/76/46/71/130764671.db2.gz BFAVQIXPNBDEHY-UHFFFAOYSA-N 1 0 295.818 1.667 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000159942594 139908190 /nfs/dbraw/zinc/90/81/90/139908190.db2.gz SFLOKSSDPSSIJA-NSHDSACASA-N 1 0 290.335 1.323 20 70 CDIDRO COc1ccc(C)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159917984 139908380 /nfs/dbraw/zinc/90/83/80/139908380.db2.gz HMAWQUCUNSIEJL-LBPRGKRZSA-N 1 0 298.408 1.361 20 70 CDIDRO CC(C)C[C@H](CO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000161079465 279171991 /nfs/dbraw/zinc/17/19/91/279171991.db2.gz HRZLQBYTQIDJAE-ZIAGYGMSSA-N 1 0 270.417 1.774 20 70 CDIDRO CCN(CC[NH2+]C1CCC(NC(C)=O)CC1)C1CC1 ZINC000161398609 279205271 /nfs/dbraw/zinc/20/52/71/279205271.db2.gz NCGRHLPVMGKFOV-UHFFFAOYSA-N 1 0 267.417 1.508 20 70 CDIDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000217594649 280089241 /nfs/dbraw/zinc/08/92/41/280089241.db2.gz MIQQMTYUSZZSKM-SCXUMTSISA-N 1 0 288.347 1.768 20 70 CDIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000217956032 280089698 /nfs/dbraw/zinc/08/96/98/280089698.db2.gz WPNIEFANLWQRTI-HUUCEWRRSA-N 1 0 276.380 1.639 20 70 CDIDRO CCOCC[NH+]1CCN(Cc2ccc(C)cn2)CC1 ZINC000159918009 292773758 /nfs/dbraw/zinc/77/37/58/292773758.db2.gz XFEGIHLBZPMMOH-UHFFFAOYSA-N 1 0 263.385 1.544 20 70 CDIDRO CC[C@@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263727 292803334 /nfs/dbraw/zinc/80/33/34/292803334.db2.gz ZVGNILIVQRDXDI-ZJUUUORDSA-N 1 0 255.280 1.393 20 70 CDIDRO CCc1cccc(OC[C@H](O)C[NH2+]CC(=O)N(C)CC)c1 ZINC000218113063 329468110 /nfs/dbraw/zinc/46/81/10/329468110.db2.gz OIWPZWGNKQTCHH-CQSZACIVSA-N 1 0 294.395 1.057 20 70 CDIDRO CN(Cc1nc(-c2ccccn2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160117236 482785607 /nfs/dbraw/zinc/78/56/07/482785607.db2.gz YKUBYMOSSHKMST-LBPRGKRZSA-N 1 0 273.340 1.301 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000160202228 482788502 /nfs/dbraw/zinc/78/85/02/482788502.db2.gz YRVWPNZGUDHGJB-NSHDSACASA-N 1 0 266.389 1.686 20 70 CDIDRO Cc1ccc(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160943926 482843878 /nfs/dbraw/zinc/84/38/78/482843878.db2.gz RLBMXNCURFJGHQ-STQMWFEESA-N 1 0 262.353 1.760 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000160990125 482849698 /nfs/dbraw/zinc/84/96/98/482849698.db2.gz MOOQOVKHOFBDCU-XQHKEYJVSA-N 1 0 266.385 1.578 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cncc(Br)c2)C1 ZINC000161006022 482850871 /nfs/dbraw/zinc/85/08/71/482850871.db2.gz JLHYWCPJAPECRO-QWRGUYRKSA-N 1 0 298.184 1.844 20 70 CDIDRO CCCc1noc(CCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000161082094 482858950 /nfs/dbraw/zinc/85/89/50/482858950.db2.gz MYRUIXBATYREGB-NWDGAFQWSA-N 1 0 294.399 1.731 20 70 CDIDRO COc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1OC ZINC000161396710 482876750 /nfs/dbraw/zinc/87/67/50/482876750.db2.gz SJBAVQSFIAHCCN-GHMZBOCLSA-N 1 0 278.352 1.704 20 70 CDIDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cscn1 ZINC000161459577 522751655 /nfs/dbraw/zinc/75/16/55/522751655.db2.gz BDIDDPJANZKVFF-UHFFFAOYSA-N 1 0 268.430 1.212 20 70 CDIDRO CN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160882790 523123739 /nfs/dbraw/zinc/12/37/39/523123739.db2.gz PFIGXFRLISGRTM-DZGCQCFKSA-N 1 0 295.427 1.824 20 70 CDIDRO CC[N@H+](C)CCNC(=O)NCCc1ccncc1C ZINC000160133862 527795593 /nfs/dbraw/zinc/79/55/93/527795593.db2.gz IETFPGPOIRIZTR-UHFFFAOYSA-N 1 0 264.373 1.183 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000160547095 528945995 /nfs/dbraw/zinc/94/59/95/528945995.db2.gz OZTMBNFDINMCGS-UHFFFAOYSA-N 1 0 265.357 1.239 20 70 CDIDRO CN(C(=O)c1cccc2cc[nH]c21)[C@H](C[NH3+])C1CC1 ZINC000159808414 342072846 /nfs/dbraw/zinc/07/28/46/342072846.db2.gz SNKHKOSEELLRTO-CYBMUJFWSA-N 1 0 257.337 1.977 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000160241497 342072986 /nfs/dbraw/zinc/07/29/86/342072986.db2.gz BASVHKLNKLMVFR-ZDUSSCGKSA-N 1 0 267.369 1.749 20 70 CDIDRO COC(=O)c1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)oc1C ZINC000159846752 361878215 /nfs/dbraw/zinc/87/82/15/361878215.db2.gz RDZQQFOTIAZRNE-RISCZKNCSA-N 1 0 281.352 1.967 20 70 CDIDRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C[C@H](O)C1CC1 ZINC000160772740 539116856 /nfs/dbraw/zinc/11/68/56/539116856.db2.gz YFVCWNWCKKAYGH-OTYXRUKQSA-N 1 0 298.333 1.995 20 70 CDIDRO COC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000159429650 362321187 /nfs/dbraw/zinc/32/11/87/362321187.db2.gz ZZMKJMIEEICHPT-LBPRGKRZSA-N 1 0 293.367 1.127 20 70 CDIDRO COc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc(OC)c1 ZINC000159710583 362360590 /nfs/dbraw/zinc/36/05/90/362360590.db2.gz TUJZUKMKARMPPQ-LBPRGKRZSA-N 1 0 292.379 1.804 20 70 CDIDRO COc1cc(OC)nc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000159810497 362372196 /nfs/dbraw/zinc/37/21/96/362372196.db2.gz ANFHTFONKUHTOA-NSHDSACASA-N 1 0 280.372 1.813 20 70 CDIDRO COc1cc(C[NH2+][C@@H](CO)C(C)C)cc2c1OCO2 ZINC000159907766 362378551 /nfs/dbraw/zinc/37/85/51/362378551.db2.gz LOVNGGHAYWOBSR-NSHDSACASA-N 1 0 267.325 1.530 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC000160671014 362466809 /nfs/dbraw/zinc/46/68/09/362466809.db2.gz IYPNQSFLCCQBIY-SMDDNHRTSA-N 1 0 264.344 1.825 20 70 CDIDRO C[C@@H]1CC(NC(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000159708225 362502126 /nfs/dbraw/zinc/50/21/26/362502126.db2.gz UDPDKQOTUFMTAS-GHMZBOCLSA-N 1 0 269.389 1.336 20 70 CDIDRO CC(C)(C)C1CCC(C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC000159697277 345257097 /nfs/dbraw/zinc/25/70/97/345257097.db2.gz UKWQCVNONIGRFJ-UHFFFAOYSA-N 1 0 295.471 1.942 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000159946186 362770919 /nfs/dbraw/zinc/77/09/19/362770919.db2.gz AXSHIHJBBFCREW-LBPRGKRZSA-N 1 0 271.430 1.619 20 70 CDIDRO CC(C)[NH+](CCNC(=O)N1CCC[C@@](C)(O)C1)C(C)C ZINC000159719351 363215172 /nfs/dbraw/zinc/21/51/72/363215172.db2.gz ZHMHVEDZMFNHSG-OAHLLOKOSA-N 1 0 285.432 1.662 20 70 CDIDRO CC[C@H](C(=O)NCc1cccc2c1OCO2)[NH+](C)C ZINC000160297655 188464966 /nfs/dbraw/zinc/46/49/66/188464966.db2.gz JHQCOKQTEXALCY-LLVKDONJSA-N 1 0 264.325 1.372 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)NOCc1cccnc1 ZINC000161171050 188512653 /nfs/dbraw/zinc/51/26/53/188512653.db2.gz BDAJLUFJTXHOOC-UHFFFAOYSA-N 1 0 280.372 1.544 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)c1ccc(C)cc1 ZINC000161336824 188522614 /nfs/dbraw/zinc/52/26/14/188522614.db2.gz HZFWXRRNCXWERY-CYBMUJFWSA-N 1 0 260.337 1.388 20 70 CDIDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000161504864 188531692 /nfs/dbraw/zinc/53/16/92/188531692.db2.gz GDPHEQOVXALZNY-UHFFFAOYSA-N 1 0 294.370 1.928 20 70 CDIDRO C[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CC[C@@H]1O ZINC000159419884 358506359 /nfs/dbraw/zinc/50/63/59/358506359.db2.gz RYNQZRBZYXVDAU-DOMZBBRYSA-N 1 0 289.379 1.422 20 70 CDIDRO CSC1(CNC(=O)[C@]2(C)CC[NH2+]C2)CCOCC1 ZINC000161212428 237196385 /nfs/dbraw/zinc/19/63/85/237196385.db2.gz IPYVVPHEHOTEKM-GFCCVEGCSA-N 1 0 272.414 1.014 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000159468476 361707563 /nfs/dbraw/zinc/70/75/63/361707563.db2.gz HUNVIFNUPGSEDL-OLZOCXBDSA-N 1 0 264.369 1.046 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1C ZINC000160451358 363869245 /nfs/dbraw/zinc/86/92/45/363869245.db2.gz STWFOSICNWHRCT-NPQIQWPPSA-N 1 0 276.384 1.198 20 70 CDIDRO CC(=O)c1cccc(OCCCC(=O)N2CC[NH2+]CC2)c1 ZINC000159426121 364204300 /nfs/dbraw/zinc/20/43/00/364204300.db2.gz VHHMTVKGTCWIEH-UHFFFAOYSA-N 1 0 290.363 1.480 20 70 CDIDRO CC(C)(C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000160254227 364326197 /nfs/dbraw/zinc/32/61/97/364326197.db2.gz WSAFNJTYIVARFA-SNVBAGLBSA-N 1 0 250.317 1.663 20 70 CDIDRO COc1cc(CCNC(=O)[C@@H]([NH3+])CCSC)ccc1C ZINC000160327556 364336752 /nfs/dbraw/zinc/33/67/52/364336752.db2.gz UNSQFBXVFXRPKE-ZDUSSCGKSA-N 1 0 296.436 1.743 20 70 CDIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@H](C)[NH3+])cc1OC ZINC000159962392 364287911 /nfs/dbraw/zinc/28/79/11/364287911.db2.gz CEMLASOCGWZGNT-JGVFFNPUSA-N 1 0 270.304 1.367 20 70 CDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000160057833 364300172 /nfs/dbraw/zinc/30/01/72/364300172.db2.gz IGCQXPOBNOQWMV-AWEZNQCLSA-N 1 0 279.359 1.255 20 70 CDIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCC[NH3+])c1 ZINC000160118994 364308444 /nfs/dbraw/zinc/30/84/44/364308444.db2.gz LXFMNDFCASRFKO-GWCFXTLKSA-N 1 0 275.352 1.360 20 70 CDIDRO COc1ccc(CCC(=O)NCCC[NH3+])c(OC)c1OC ZINC000160170421 364315122 /nfs/dbraw/zinc/31/51/22/364315122.db2.gz WLDRTWZTCMGGMP-UHFFFAOYSA-N 1 0 296.367 1.110 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000160189537 364315974 /nfs/dbraw/zinc/31/59/74/364315974.db2.gz MKSYUQYDMXPSNJ-CQSZACIVSA-N 1 0 292.354 1.434 20 70 CDIDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000160184064 364316505 /nfs/dbraw/zinc/31/65/05/364316505.db2.gz YTKPTCOWEBTALC-LLVKDONJSA-N 1 0 287.367 1.494 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)C1 ZINC000160542616 364370997 /nfs/dbraw/zinc/37/09/97/364370997.db2.gz HZHAMQUTGKYVCV-NWDGAFQWSA-N 1 0 294.420 1.996 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000160773802 364407671 /nfs/dbraw/zinc/40/76/71/364407671.db2.gz JJYDFJKCLXREIW-VIFPVBQESA-N 1 0 261.281 1.369 20 70 CDIDRO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1C ZINC000161489553 364501856 /nfs/dbraw/zinc/50/18/56/364501856.db2.gz ILSGEBHHZXUSPS-ZDUSSCGKSA-N 1 0 276.336 1.862 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000161034476 365246485 /nfs/dbraw/zinc/24/64/85/365246485.db2.gz SSOOODOCHMXDRD-LBPRGKRZSA-N 1 0 298.408 1.606 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000161507714 375651300 /nfs/dbraw/zinc/65/13/00/375651300.db2.gz AWWYCMWXFNFVJQ-QEJZJMRPSA-N 1 0 278.396 1.988 20 70 CDIDRO C[NH+]1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000160247347 377040689 /nfs/dbraw/zinc/04/06/89/377040689.db2.gz PNXRKSDWMSXLMC-UHFFFAOYSA-N 1 0 281.400 1.036 20 70 CDIDRO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2C(N)=O)o1 ZINC000160316546 377057413 /nfs/dbraw/zinc/05/74/13/377057413.db2.gz WYUJMAWEBYDFGE-LLVKDONJSA-N 1 0 274.324 1.428 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000160505306 377082090 /nfs/dbraw/zinc/08/20/90/377082090.db2.gz JQHKZDAWHVHMTM-YNEHKIRRSA-N 1 0 268.401 1.791 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160713171 377094867 /nfs/dbraw/zinc/09/48/67/377094867.db2.gz LDSQCSSQLXWJAM-CYBMUJFWSA-N 1 0 271.405 1.319 20 70 CDIDRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160200502 299568873 /nfs/dbraw/zinc/56/88/73/299568873.db2.gz YDXIZHFPMGTGCR-JQWIXIFHSA-N 1 0 266.316 1.543 20 70 CDIDRO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159440274 533246747 /nfs/dbraw/zinc/24/67/47/533246747.db2.gz GAMZJRILXNIHRP-DYEKYZERSA-N 1 0 268.401 1.527 20 70 CDIDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000161188050 390956261 /nfs/dbraw/zinc/95/62/61/390956261.db2.gz QXGDFEWJPTYRLK-ZDUSSCGKSA-N 1 0 254.374 1.546 20 70 CDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000160354832 391508035 /nfs/dbraw/zinc/50/80/35/391508035.db2.gz RCISVOYNUALGMK-YPMHNXCESA-N 1 0 256.390 1.635 20 70 CDIDRO CCOc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159857527 139906819 /nfs/dbraw/zinc/90/68/19/139906819.db2.gz HBMRUTLQDIRAJB-CQSZACIVSA-N 1 0 262.353 1.895 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000161002451 139912270 /nfs/dbraw/zinc/91/22/70/139912270.db2.gz DZBCXNWBPQVCRJ-UHFFFAOYSA-N 1 0 297.443 1.387 20 70 CDIDRO Cc1ccccc1CS(=O)(=O)N1CCN(C)C[C@H]1C ZINC000216735335 140162990 /nfs/dbraw/zinc/16/29/90/140162990.db2.gz XXZBJVSPABKKPN-CYBMUJFWSA-N 1 0 282.409 1.461 20 70 CDIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000161163630 264272191 /nfs/dbraw/zinc/27/21/91/264272191.db2.gz JETUJICRVXNHHM-VXGBXAGGSA-N 1 0 280.343 1.851 20 70 CDIDRO CCC[C@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000161445522 276047579 /nfs/dbraw/zinc/04/75/79/276047579.db2.gz NYZXUBSLQRHWSE-UONOGXRCSA-N 1 0 268.401 1.794 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)cc1C ZINC000161386286 277032676 /nfs/dbraw/zinc/03/26/76/277032676.db2.gz MBORVINLLBRTIM-CQSZACIVSA-N 1 0 299.378 1.400 20 70 CDIDRO CCC[C@@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000161447927 278881793 /nfs/dbraw/zinc/88/17/93/278881793.db2.gz KXJCUWLFJJCTDY-CYBMUJFWSA-N 1 0 268.401 1.794 20 70 CDIDRO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000159891412 289350529 /nfs/dbraw/zinc/35/05/29/289350529.db2.gz JLWIOARQHIGMOT-YTWAJWBKSA-N 1 0 293.333 1.113 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000159691904 292765839 /nfs/dbraw/zinc/76/58/39/292765839.db2.gz HNMHVFCLEHOUHN-DJLDLDEBSA-N 1 0 268.279 1.197 20 70 CDIDRO CC[NH+]1CCC(CNc2nc(OC)cc(OC)n2)CC1 ZINC000159782231 292769544 /nfs/dbraw/zinc/76/95/44/292769544.db2.gz UEMATAMNJOYEKI-UHFFFAOYSA-N 1 0 280.372 1.638 20 70 CDIDRO Cc1nc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000161338029 292804669 /nfs/dbraw/zinc/80/46/69/292804669.db2.gz XOJPENDPPVQODM-CYBMUJFWSA-N 1 0 293.436 1.999 20 70 CDIDRO COC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000159435989 293134147 /nfs/dbraw/zinc/13/41/47/293134147.db2.gz AHHGFRWONIRDPP-LSDHHAIUSA-N 1 0 297.443 1.831 20 70 CDIDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC(C)(C)CO ZINC000160164805 482787207 /nfs/dbraw/zinc/78/72/07/482787207.db2.gz AQZKCDNVLWFCAG-AWEZNQCLSA-N 1 0 281.396 1.651 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000160842633 482831217 /nfs/dbraw/zinc/83/12/17/482831217.db2.gz TYJJNGCZNLWKTC-KGLIPLIRSA-N 1 0 295.427 1.459 20 70 CDIDRO C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161185849 482867170 /nfs/dbraw/zinc/86/71/70/482867170.db2.gz PTWOJLFPWNIVKO-RWMBFGLXSA-N 1 0 262.353 1.840 20 70 CDIDRO CC[C@H](C)c1cc(C(=O)NCCC[N@H+](C)CCOC)on1 ZINC000160435200 522027608 /nfs/dbraw/zinc/02/76/08/522027608.db2.gz WPJQPTBWOSPQDM-LBPRGKRZSA-N 1 0 297.399 1.886 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000160034662 527254754 /nfs/dbraw/zinc/25/47/54/527254754.db2.gz YGRDNCRJSHRWKN-UHFFFAOYSA-N 1 0 272.352 1.399 20 70 CDIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000159562145 361738185 /nfs/dbraw/zinc/73/81/85/361738185.db2.gz WLCTWUHNLXOBBX-PWSUYJOCSA-N 1 0 276.336 1.501 20 70 CDIDRO CC(C)COCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159712143 361806986 /nfs/dbraw/zinc/80/69/86/361806986.db2.gz GORDLFQZWSUXLH-CYBMUJFWSA-N 1 0 258.406 1.752 20 70 CDIDRO COC[C@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159371693 342072806 /nfs/dbraw/zinc/07/28/06/342072806.db2.gz NIARUJJWHNLXIQ-CQSZACIVSA-N 1 0 260.337 1.374 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC000161122579 361876855 /nfs/dbraw/zinc/87/68/55/361876855.db2.gz DFGFFXZVZOYMIG-UHFFFAOYSA-N 1 0 264.373 1.434 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000161197166 361912973 /nfs/dbraw/zinc/91/29/73/361912973.db2.gz YXCVXZKNSMDUTL-CYBMUJFWSA-N 1 0 282.359 1.740 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1CCOCC1 ZINC000159947403 539115109 /nfs/dbraw/zinc/11/51/09/539115109.db2.gz CPVSHFMVCHXWLY-JTQLQIEISA-N 1 0 263.403 1.214 20 70 CDIDRO CCCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161383319 539117617 /nfs/dbraw/zinc/11/76/17/539117617.db2.gz WHXBINWZGYXAIN-CYBMUJFWSA-N 1 0 276.384 1.118 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023653 362005924 /nfs/dbraw/zinc/00/59/24/362005924.db2.gz HJVPCWMZFXOVSS-GFCCVEGCSA-N 1 0 295.408 1.212 20 70 CDIDRO CNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160440038 529842478 /nfs/dbraw/zinc/84/24/78/529842478.db2.gz HQBABUZEFFOEGQ-UHFFFAOYSA-N 1 0 267.417 1.320 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000159554499 362304746 /nfs/dbraw/zinc/30/47/46/362304746.db2.gz BUQJIZGAIDFMPI-FDYHWXHSSA-N 1 0 256.390 1.382 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000159867565 362377135 /nfs/dbraw/zinc/37/71/35/362377135.db2.gz JCOZBXBBQWDQMM-NSHDSACASA-N 1 0 262.309 1.225 20 70 CDIDRO CN(CC(=O)N1CCc2ccccc2C1)[C@H](C[NH3+])C1CC1 ZINC000160149209 362398323 /nfs/dbraw/zinc/39/83/23/362398323.db2.gz HCBXYVXSBUBIOG-MRXNPFEDSA-N 1 0 287.407 1.240 20 70 CDIDRO CC[C@@H](COC)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159448279 344957979 /nfs/dbraw/zinc/95/79/79/344957979.db2.gz ASXQTBUOJVGLJM-RYUDHWBXSA-N 1 0 257.378 1.052 20 70 CDIDRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1=O ZINC000160957209 362570803 /nfs/dbraw/zinc/57/08/03/362570803.db2.gz KZGPMDKSPOSGCD-NSHDSACASA-N 1 0 284.718 1.716 20 70 CDIDRO C[C@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160716592 346220989 /nfs/dbraw/zinc/22/09/89/346220989.db2.gz SORLFPNESADPSQ-RISCZKNCSA-N 1 0 265.401 1.911 20 70 CDIDRO C[NH2+]CC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000161399107 362934495 /nfs/dbraw/zinc/93/44/95/362934495.db2.gz AGDOJPWSUNMGRK-SECBINFHSA-N 1 0 256.733 1.443 20 70 CDIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@H]1CCOC1 ZINC000159922656 188447560 /nfs/dbraw/zinc/44/75/60/188447560.db2.gz MOPAJLZOCIXLGS-MDZLAQPJSA-N 1 0 255.383 1.970 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000161111166 188508851 /nfs/dbraw/zinc/50/88/51/188508851.db2.gz MGRWQSJJMYMHLT-ZDUSSCGKSA-N 1 0 291.395 1.697 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159840821 363367503 /nfs/dbraw/zinc/36/75/03/363367503.db2.gz GYLNSHSYOGZDJG-CHWSQXEVSA-N 1 0 285.432 1.974 20 70 CDIDRO Cc1nc2ccccn2c1C[N@H+](C)CCn1cccn1 ZINC000160346844 358492905 /nfs/dbraw/zinc/49/29/05/358492905.db2.gz CVXBHUVOFVZNPH-UHFFFAOYSA-N 1 0 269.352 1.971 20 70 CDIDRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000160441635 358639283 /nfs/dbraw/zinc/63/92/83/358639283.db2.gz XSDXRXFELUIDGA-HZPDHXFCSA-N 1 0 295.471 1.957 20 70 CDIDRO CCO[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)C12CCC2 ZINC000160527899 358725570 /nfs/dbraw/zinc/72/55/70/358725570.db2.gz HUPYZTJKJGNXNT-NEPJUHHUSA-N 1 0 254.374 1.354 20 70 CDIDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159760345 237161406 /nfs/dbraw/zinc/16/14/06/237161406.db2.gz SFPHAKZAYAYCCK-KBPBESRZSA-N 1 0 298.427 1.738 20 70 CDIDRO c1ncn(C2CC[NH+](CCOCC3CC3)CC2)n1 ZINC000159907990 237161826 /nfs/dbraw/zinc/16/18/26/237161826.db2.gz CLOMCSSRIQDXJX-UHFFFAOYSA-N 1 0 250.346 1.342 20 70 CDIDRO CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C[NH3+])s1 ZINC000160300767 237171950 /nfs/dbraw/zinc/17/19/50/237171950.db2.gz BOACGIXHRKMIOO-UWVGGRQHSA-N 1 0 283.397 1.722 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000159430774 361696864 /nfs/dbraw/zinc/69/68/64/361696864.db2.gz VBRDXWOSGFIGNG-SWLSCSKDSA-N 1 0 294.370 1.971 20 70 CDIDRO CC1(C)[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@H]2CCO[C@@H]21 ZINC000161107529 363962034 /nfs/dbraw/zinc/96/20/34/363962034.db2.gz FSSMUWKPUTZTFW-SYQHCUMBSA-N 1 0 274.364 1.616 20 70 CDIDRO Cn1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159405020 364199624 /nfs/dbraw/zinc/19/96/24/364199624.db2.gz ZMCOYZLFXMEIJV-CQSZACIVSA-N 1 0 299.440 1.319 20 70 CDIDRO COC(=O)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000159643849 364245986 /nfs/dbraw/zinc/24/59/86/364245986.db2.gz IFFYGGJLOVVDIA-GFCCVEGCSA-N 1 0 276.336 1.340 20 70 CDIDRO Cn1cc(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000159707862 364254391 /nfs/dbraw/zinc/25/43/91/364254391.db2.gz XTQHBSAIEVTFBI-UHFFFAOYSA-N 1 0 292.383 1.031 20 70 CDIDRO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159841552 364272143 /nfs/dbraw/zinc/27/21/43/364272143.db2.gz PJMUSCRYYCAURI-UONOGXRCSA-N 1 0 262.353 1.287 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@H](C)C[NH+]2CCCC2)cnn1C ZINC000160317028 364335090 /nfs/dbraw/zinc/33/50/90/364335090.db2.gz GGIAYDHBRZJNFQ-YBJDMEARSA-N 1 0 290.411 1.590 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159897138 364277941 /nfs/dbraw/zinc/27/79/41/364277941.db2.gz XEMZEXPIZQWOCO-CMPLNLGQSA-N 1 0 295.408 1.210 20 70 CDIDRO CC[C@@H](C)OCC(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000160000441 364292372 /nfs/dbraw/zinc/29/23/72/364292372.db2.gz IEILLOZPKZIDCD-SECBINFHSA-N 1 0 283.397 1.885 20 70 CDIDRO Cc1nc(CN2CCC(C(=O)NCCC[NH3+])CC2)cs1 ZINC000160049642 364298820 /nfs/dbraw/zinc/29/88/20/364298820.db2.gz PYTWIRJEUAIODU-UHFFFAOYSA-N 1 0 296.440 1.129 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc(O)cc1 ZINC000160187313 364316338 /nfs/dbraw/zinc/31/63/38/364316338.db2.gz RAZCYSIQAUIZIF-SNVBAGLBSA-N 1 0 266.366 1.434 20 70 CDIDRO Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000160406509 364347016 /nfs/dbraw/zinc/34/70/16/364347016.db2.gz QUINSFVUXZZLDI-OAHLLOKOSA-N 1 0 290.407 1.880 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963189 364434052 /nfs/dbraw/zinc/43/40/52/364434052.db2.gz NASFZPRDAWIJEU-UONOGXRCSA-N 1 0 280.368 1.361 20 70 CDIDRO Cc1c(/C=C/C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1C ZINC000161175978 364459583 /nfs/dbraw/zinc/45/95/83/364459583.db2.gz IWDASIIIDYSVFK-MVGZEHJDSA-N 1 0 292.427 1.834 20 70 CDIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)[NH3+] ZINC000160831879 364416300 /nfs/dbraw/zinc/41/63/00/364416300.db2.gz TUVZNLOISCRUEA-RISCZKNCSA-N 1 0 282.359 1.691 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161194367 367581177 /nfs/dbraw/zinc/58/11/77/367581177.db2.gz CAWCGOBIXBRKLN-QMMMGPOBSA-N 1 0 264.251 1.367 20 70 CDIDRO [NH3+]C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000217256706 372040638 /nfs/dbraw/zinc/04/06/38/372040638.db2.gz ZNKPJVNLOJRHPB-UHFFFAOYSA-N 1 0 297.196 1.941 20 70 CDIDRO COC(=O)[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161294501 284323348 /nfs/dbraw/zinc/32/33/48/284323348.db2.gz MDGGCXVNCWRCBW-CQSZACIVSA-N 1 0 268.401 1.890 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000161435758 373731715 /nfs/dbraw/zinc/73/17/15/373731715.db2.gz OTPMJWLMDNKGJW-KBPBESRZSA-N 1 0 284.363 1.872 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)s1 ZINC000160610397 377097495 /nfs/dbraw/zinc/09/74/95/377097495.db2.gz HIMUTHZQHLPFSP-UHFFFAOYSA-N 1 0 282.409 1.491 20 70 CDIDRO COc1ccc(Cl)cc1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160182500 377865762 /nfs/dbraw/zinc/86/57/62/377865762.db2.gz QIIWAMGULHMSRQ-LLVKDONJSA-N 1 0 268.744 1.451 20 70 CDIDRO C[C@H](CS(C)(=O)=O)[NH2+]C/C=C\c1ccccc1 ZINC000216969996 391650608 /nfs/dbraw/zinc/65/06/08/391650608.db2.gz MENDHYLJRUUIFR-OJIASSBASA-N 1 0 253.367 1.723 20 70 CDIDRO CC1CCN(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000160563572 391844453 /nfs/dbraw/zinc/84/44/53/391844453.db2.gz JYNCRJBIHRAQIQ-CYBMUJFWSA-N 1 0 253.390 1.722 20 70 CDIDRO CC[C@H](C)[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(=O)OC ZINC000217911833 140164552 /nfs/dbraw/zinc/16/45/52/140164552.db2.gz CVVVKBVWDYADJQ-LNSITVRQSA-N 1 0 292.379 1.780 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc2C1)[C@H](C[NH3+])C1CC1 ZINC000159801716 273785973 /nfs/dbraw/zinc/78/59/73/273785973.db2.gz ZERFLGFAGHZKPJ-ZIAGYGMSSA-N 1 0 274.364 1.433 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000161088541 277029964 /nfs/dbraw/zinc/02/99/64/277029964.db2.gz JLEQMMLVKXVJJG-GZBFAFLISA-N 1 0 276.380 1.831 20 70 CDIDRO CC(C)([NH3+])CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000159953502 277306763 /nfs/dbraw/zinc/30/67/63/277306763.db2.gz XRGCMKXOUXFZOX-ZACCUICWSA-N 1 0 252.358 1.235 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000159390831 278393673 /nfs/dbraw/zinc/39/36/73/278393673.db2.gz RNWGWMUFNNRTSW-XQQFMLRXSA-N 1 0 276.380 1.665 20 70 CDIDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000159971733 280395190 /nfs/dbraw/zinc/39/51/90/280395190.db2.gz CABWSYPHGRFDJD-AWEZNQCLSA-N 1 0 296.436 1.970 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](CCO)CSC ZINC000160275336 292782523 /nfs/dbraw/zinc/78/25/23/292782523.db2.gz RPVMXPHXOQWUIH-HUUCEWRRSA-N 1 0 283.437 1.948 20 70 CDIDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC(C)(C)O ZINC000160655545 292792092 /nfs/dbraw/zinc/79/20/92/292792092.db2.gz DVTUOUXECKEHLL-CYBMUJFWSA-N 1 0 278.396 1.484 20 70 CDIDRO CCN(CC)C(=O)CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161224470 482867525 /nfs/dbraw/zinc/86/75/25/482867525.db2.gz JOBMNLCPOKZNAP-NEPJUHHUSA-N 1 0 269.389 1.021 20 70 CDIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067195 525561888 /nfs/dbraw/zinc/56/18/88/525561888.db2.gz YVGJIYXFIKDKMD-YUTCNCBUSA-N 1 0 250.390 1.944 20 70 CDIDRO C(CN1CCC([NH+]2CCCC2)CC1)OCC1CC1 ZINC000160591756 527477872 /nfs/dbraw/zinc/47/78/72/527477872.db2.gz HKYJDFCLMJTLCM-UHFFFAOYSA-N 1 0 252.402 1.973 20 70 CDIDRO CCOC(=O)CCc1ccc(NC(=O)[C@@H](C)C[NH2+]C)cc1 ZINC000160492729 528762670 /nfs/dbraw/zinc/76/26/70/528762670.db2.gz SRDHMSXNPIJREE-LBPRGKRZSA-N 1 0 292.379 1.976 20 70 CDIDRO COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160565597 342483041 /nfs/dbraw/zinc/48/30/41/342483041.db2.gz YKBOTGQSAZXFEZ-STQMWFEESA-N 1 0 254.374 1.404 20 70 CDIDRO Cc1cccn2c(C[NH+]3CCC(CC(N)=O)CC3)cnc12 ZINC000159799180 361855421 /nfs/dbraw/zinc/85/54/21/361855421.db2.gz QRMZQMKUKOZPOB-UHFFFAOYSA-N 1 0 286.379 1.730 20 70 CDIDRO CCC(=O)N[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159939962 361956123 /nfs/dbraw/zinc/95/61/23/361956123.db2.gz YQMLZNMQPBENPM-ZDUSSCGKSA-N 1 0 254.374 1.404 20 70 CDIDRO O=S(=O)(c1c[nH]cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160107844 362028607 /nfs/dbraw/zinc/02/86/07/362028607.db2.gz HYKVKYVCEKOBST-GFCCVEGCSA-N 1 0 298.412 1.049 20 70 CDIDRO COc1cc(OC)nc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000159787243 362369655 /nfs/dbraw/zinc/36/96/55/362369655.db2.gz JOHXSJZJERAMSU-NSHDSACASA-N 1 0 280.372 1.638 20 70 CDIDRO CN(C(=O)COc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159792489 362371251 /nfs/dbraw/zinc/37/12/51/362371251.db2.gz OJIFXGIIFSLQSW-ZDUSSCGKSA-N 1 0 282.771 1.915 20 70 CDIDRO CCCN(Cc1cc2c(c(OC)c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000159981941 362384949 /nfs/dbraw/zinc/38/49/49/362384949.db2.gz XYVQDHAUGHPGJM-CYBMUJFWSA-N 1 0 292.379 1.998 20 70 CDIDRO CN(Cc1ccccc1)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160091510 362394136 /nfs/dbraw/zinc/39/41/36/362394136.db2.gz BSROXPBEVLNROY-OAHLLOKOSA-N 1 0 275.396 1.314 20 70 CDIDRO C[C@@H](CCO)C[NH2+]Cc1cncc(Br)c1 ZINC000160585655 362451335 /nfs/dbraw/zinc/45/13/35/362451335.db2.gz QNLCJIZITCVNFD-VIFPVBQESA-N 1 0 273.174 1.952 20 70 CDIDRO CN1CCN(C)[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160939882 362562574 /nfs/dbraw/zinc/56/25/74/362562574.db2.gz RWVJTGCLSJWTFN-CQSZACIVSA-N 1 0 285.794 1.815 20 70 CDIDRO COCCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160762150 346579801 /nfs/dbraw/zinc/57/98/01/346579801.db2.gz WSYOZCKNRMFISA-OAHLLOKOSA-N 1 0 297.443 1.785 20 70 CDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC[C@@H]1O ZINC000161204040 365962153 /nfs/dbraw/zinc/96/21/53/365962153.db2.gz LUJQNFWJTSJGSI-KBPBESRZSA-N 1 0 296.411 1.051 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159984130 188450099 /nfs/dbraw/zinc/45/00/99/188450099.db2.gz PCCOUBKYFDIZOR-OAHLLOKOSA-N 1 0 276.380 1.572 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000160733152 188488851 /nfs/dbraw/zinc/48/88/51/188488851.db2.gz JGDILVTUONFOTG-ZDUSSCGKSA-N 1 0 292.379 1.916 20 70 CDIDRO CC(C)(C)[C@H](COc1ccccc1F)NC(=O)C[NH3+] ZINC000159772925 363294811 /nfs/dbraw/zinc/29/48/11/363294811.db2.gz RPCAMXBOIQGQKK-LBPRGKRZSA-N 1 0 268.332 1.694 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)CCO2)[C@@H](C[NH3+])C1CC1 ZINC000159796318 363315555 /nfs/dbraw/zinc/31/55/55/363315555.db2.gz PBSPRAFNBCHMNX-ZDUSSCGKSA-N 1 0 260.337 1.431 20 70 CDIDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NC(C)C)[C@H](C)C1 ZINC000160935188 358781488 /nfs/dbraw/zinc/78/14/88/358781488.db2.gz SFBRCEFRFNFIPF-CABCVRRESA-N 1 0 299.459 1.238 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000160426182 237178361 /nfs/dbraw/zinc/17/83/61/237178361.db2.gz BVLUUMYSCIIAAU-CQSZACIVSA-N 1 0 294.370 1.711 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000159867695 359786317 /nfs/dbraw/zinc/78/63/17/359786317.db2.gz JCOZBXBBQWDQMM-LLVKDONJSA-N 1 0 262.309 1.225 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000159469367 359965214 /nfs/dbraw/zinc/96/52/14/359965214.db2.gz OKNPEJQPSGHNIX-ZIAGYGMSSA-N 1 0 268.401 1.936 20 70 CDIDRO Cn1cnnc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160736588 360858861 /nfs/dbraw/zinc/85/88/61/360858861.db2.gz OWCODXWEQYFQAN-UHFFFAOYSA-N 1 0 285.395 1.523 20 70 CDIDRO C[C@@H](CC(=O)N(C)C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161108949 360917691 /nfs/dbraw/zinc/91/76/91/360917691.db2.gz WDCMLBUAKFDGGM-JTQLQIEISA-N 1 0 297.786 1.735 20 70 CDIDRO COc1ccc(CCN(CC(C)C)C(=O)C[NH3+])cc1OC ZINC000160882640 361496634 /nfs/dbraw/zinc/49/66/34/361496634.db2.gz ZRTPFSNPUYPXRF-UHFFFAOYSA-N 1 0 294.395 1.690 20 70 CDIDRO CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)C1CCCCC1 ZINC000159497203 361720433 /nfs/dbraw/zinc/72/04/33/361720433.db2.gz VRAXJXMUMBVPJE-CHWSQXEVSA-N 1 0 270.417 1.869 20 70 CDIDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)oc1C ZINC000160369054 363828764 /nfs/dbraw/zinc/82/87/64/363828764.db2.gz UROCTEGSNDNOMZ-LBPRGKRZSA-N 1 0 250.342 1.920 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159386800 364197332 /nfs/dbraw/zinc/19/73/32/364197332.db2.gz RIXMUBDOJBKLLE-RBZFPXEDSA-N 1 0 298.452 1.653 20 70 CDIDRO Cc1nc2ccccn2c1CN1CCNC(=O)[C@H]1C(C)C ZINC000159694132 364252747 /nfs/dbraw/zinc/25/27/47/364252747.db2.gz VSQNVXYIMVRJRA-OAHLLOKOSA-N 1 0 286.379 1.599 20 70 CDIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CC1)[N@H+](C)C1CC1 ZINC000159867374 364276169 /nfs/dbraw/zinc/27/61/69/364276169.db2.gz TXMFMEAVHUARRF-NSHDSACASA-N 1 0 265.401 1.959 20 70 CDIDRO Cc1noc([C@@H]2CCC[N@H+](CCn3ccnc3)C2)n1 ZINC000159773434 364264338 /nfs/dbraw/zinc/26/43/38/364264338.db2.gz XKVUMWBHQJKEER-GFCCVEGCSA-N 1 0 261.329 1.454 20 70 CDIDRO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000159978678 364289569 /nfs/dbraw/zinc/28/95/69/364289569.db2.gz ZBKNCFFKVJWXPX-OCCSQVGLSA-N 1 0 289.379 1.061 20 70 CDIDRO CCOc1cc(CCCNC(=O)[C@H](C)[NH3+])ccc1OC ZINC000160062649 364300616 /nfs/dbraw/zinc/30/06/16/364300616.db2.gz LBIZWMNWQGAUCN-NSHDSACASA-N 1 0 280.368 1.490 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 ZINC000160202733 364317923 /nfs/dbraw/zinc/31/79/23/364317923.db2.gz GUHPMZMDQNITKQ-PSKZRQQASA-N 1 0 282.347 1.445 20 70 CDIDRO C[NH+](C)CCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160748135 364405883 /nfs/dbraw/zinc/40/58/83/364405883.db2.gz YNJGFZLQBHWODC-LSDHHAIUSA-N 1 0 291.395 1.768 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000160382784 364344473 /nfs/dbraw/zinc/34/44/73/364344473.db2.gz NLKPEEFVMLNNIP-CYBMUJFWSA-N 1 0 270.336 1.436 20 70 CDIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000160962704 364434066 /nfs/dbraw/zinc/43/40/66/364434066.db2.gz OAXAEEKPVHNMRG-TZMCWYRMSA-N 1 0 292.379 1.326 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncc2ccccc21 ZINC000161172258 364458321 /nfs/dbraw/zinc/45/83/21/364458321.db2.gz AJGZYDYRFJQXSB-ZDUSSCGKSA-N 1 0 272.352 1.247 20 70 CDIDRO CCCNC(=O)CN(CCC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160937461 364430945 /nfs/dbraw/zinc/43/09/45/364430945.db2.gz UJJDVNGPDIIGEU-UHFFFAOYSA-N 1 0 294.399 1.483 20 70 CDIDRO C[C@@]1(C(=O)Nn2cnc3ccccc32)CCC[NH2+]C1 ZINC000161314230 364476376 /nfs/dbraw/zinc/47/63/76/364476376.db2.gz ZJKCOPDOHCRMSN-CQSZACIVSA-N 1 0 258.325 1.496 20 70 CDIDRO CCn1cc([C@H](C)[NH2+][C@H](CCO)CSC)cn1 ZINC000160294746 364630333 /nfs/dbraw/zinc/63/03/33/364630333.db2.gz SFKKFWFFCVODSJ-CMPLNLGQSA-N 1 0 257.403 1.668 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Oc1ccc(Cl)cc1 ZINC000161138865 367249445 /nfs/dbraw/zinc/24/94/45/367249445.db2.gz RVKXREJEOICMES-GHMZBOCLSA-N 1 0 282.771 1.833 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000218177965 373742295 /nfs/dbraw/zinc/74/22/95/373742295.db2.gz BENJVWAKABCERR-AWEZNQCLSA-N 1 0 294.395 1.111 20 70 CDIDRO CCN(CC[NH2+]C[C@H](O)COc1ccc(F)cc1)C1CC1 ZINC000218504694 373789894 /nfs/dbraw/zinc/78/98/94/373789894.db2.gz VUOWHUNQGUWQJI-HNNXBMFYSA-N 1 0 296.386 1.639 20 70 CDIDRO O=C([C@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000160815862 284556373 /nfs/dbraw/zinc/55/63/73/284556373.db2.gz AYHVKLNCTVBUBH-JTQLQIEISA-N 1 0 264.300 1.551 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCOCC2CCOCC2)C1 ZINC000160580151 377087512 /nfs/dbraw/zinc/08/75/12/377087512.db2.gz JARVVHULICWQTP-LSDHHAIUSA-N 1 0 298.427 1.453 20 70 CDIDRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H](C)[NH3+] ZINC000159783079 139905227 /nfs/dbraw/zinc/90/52/27/139905227.db2.gz RRPNTGHMWPNSOB-JTQLQIEISA-N 1 0 297.786 1.864 20 70 CDIDRO CN(CC(=O)Nc1cccc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000160002463 147705846 /nfs/dbraw/zinc/70/58/46/147705846.db2.gz QUWSCOACFROGLA-CYBMUJFWSA-N 1 0 265.332 1.433 20 70 CDIDRO CCc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160049511 147707717 /nfs/dbraw/zinc/70/77/17/147707717.db2.gz HIBOHBUIFXZLRP-OAHLLOKOSA-N 1 0 275.396 1.857 20 70 CDIDRO Cc1cccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000160052113 147707823 /nfs/dbraw/zinc/70/78/23/147707823.db2.gz IPOGRLBPKOIFLE-HNNXBMFYSA-N 1 0 275.396 1.911 20 70 CDIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160521508 279071004 /nfs/dbraw/zinc/07/10/04/279071004.db2.gz BBSJFQIJDBMPTK-DGCLKSJQSA-N 1 0 293.415 1.138 20 70 CDIDRO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C[NH3+])C1 ZINC000217559391 279191505 /nfs/dbraw/zinc/19/15/05/279191505.db2.gz PIHUXLIIUCGJHD-KGLIPLIRSA-N 1 0 267.417 1.448 20 70 CDIDRO Cc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1C ZINC000217310725 280088477 /nfs/dbraw/zinc/08/84/77/280088477.db2.gz MDCDITNBFNLSCS-UHFFFAOYSA-N 1 0 276.384 1.330 20 70 CDIDRO CC(C)(C)OC(=O)N1CCN(CCC[NH2+]CC2CC2)CC1 ZINC000218324418 280090697 /nfs/dbraw/zinc/09/06/97/280090697.db2.gz WSJZIFMIUAFPLJ-UHFFFAOYSA-N 1 0 297.443 1.929 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160812636 520828282 /nfs/dbraw/zinc/82/82/82/520828282.db2.gz XIIILFIFEFDKGP-ZYHUDNBSSA-N 1 0 258.362 1.031 20 70 CDIDRO [NH3+]C1(CNC(=O)CC[C@@H]2CCOC2)CCCCC1 ZINC000159640824 534537020 /nfs/dbraw/zinc/53/70/20/534537020.db2.gz BDEMEJJVRWNZDV-GFCCVEGCSA-N 1 0 254.374 1.581 20 70 CDIDRO Cc1cnn(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159790249 534740064 /nfs/dbraw/zinc/74/00/64/534740064.db2.gz HYROYZPKMLJTBQ-UHFFFAOYSA-N 1 0 290.411 1.572 20 70 CDIDRO CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CCC[N@H+](C)C1 ZINC000160606280 523959599 /nfs/dbraw/zinc/95/95/99/523959599.db2.gz VEUHDUXFTZGGTM-LBPRGKRZSA-N 1 0 287.367 1.135 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159728376 361815148 /nfs/dbraw/zinc/81/51/48/361815148.db2.gz ZCFMXZMFCCKODY-CYBMUJFWSA-N 1 0 293.415 1.249 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161149014 361888658 /nfs/dbraw/zinc/88/86/58/361888658.db2.gz ONPXTAGHQWQVLA-WDEREUQCSA-N 1 0 268.332 1.565 20 70 CDIDRO CC(C)[NH+]1CCN(C(=O)CNC(=O)CC2CCCC2)CC1 ZINC000159890679 361898660 /nfs/dbraw/zinc/89/86/60/361898660.db2.gz ZIJQBDUYZXISLL-UHFFFAOYSA-N 1 0 295.427 1.236 20 70 CDIDRO COC(=O)C1([N@H+](C)CCC(=O)N2CCC[C@@H]2C)CCCC1 ZINC000159429974 539042609 /nfs/dbraw/zinc/04/26/09/539042609.db2.gz OEDDHWBCSYPXGP-ZDUSSCGKSA-N 1 0 296.411 1.805 20 70 CDIDRO COCC[N@H+](CCCCS(C)(=O)=O)CC(C)C ZINC000161411230 539117692 /nfs/dbraw/zinc/11/76/92/539117692.db2.gz FEHUVNMWKYFIKN-UHFFFAOYSA-N 1 0 265.419 1.416 20 70 CDIDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccn1 ZINC000217942920 342439542 /nfs/dbraw/zinc/43/95/42/342439542.db2.gz DZJWFYKUQYLQJA-SECBINFHSA-N 1 0 253.733 1.464 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCC1(SC)CCOCC1 ZINC000161245800 362185812 /nfs/dbraw/zinc/18/58/12/362185812.db2.gz UCLPSRBRNAXKDU-UHFFFAOYSA-N 1 0 288.457 1.780 20 70 CDIDRO CC(C)CCC[C@H](C)NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160029559 362388173 /nfs/dbraw/zinc/38/81/73/362388173.db2.gz JWAQIRBNMSIFFF-ZFWWWQNUSA-N 1 0 283.460 1.987 20 70 CDIDRO COc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)ccc1F ZINC000160319536 362412320 /nfs/dbraw/zinc/41/23/20/362412320.db2.gz LYJNQNLJDBBZJP-JTQLQIEISA-N 1 0 284.356 1.868 20 70 CDIDRO C[C@@H](CCO)[NH2+]Cc1cncc(Br)c1 ZINC000160593873 362454507 /nfs/dbraw/zinc/45/45/07/362454507.db2.gz IXCDGLLJMHJOHF-QMMMGPOBSA-N 1 0 259.147 1.705 20 70 CDIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCO ZINC000159461020 345063201 /nfs/dbraw/zinc/06/32/01/345063201.db2.gz OHLKZZAQMHMABG-UONOGXRCSA-N 1 0 285.432 1.711 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCOC1 ZINC000160957162 362570165 /nfs/dbraw/zinc/57/01/65/362570165.db2.gz DFZPNYZLNXFFJA-LSDHHAIUSA-N 1 0 297.443 1.927 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000161093685 188507740 /nfs/dbraw/zinc/50/77/40/188507740.db2.gz SEOREMPSYPMBAZ-QWRGUYRKSA-N 1 0 254.399 1.898 20 70 CDIDRO C[NH+](C)C[C@H]1CN(Cc2ccnc(Cl)c2)CCO1 ZINC000216935050 358971513 /nfs/dbraw/zinc/97/15/13/358971513.db2.gz ASMPDINRTOJZBZ-LBPRGKRZSA-N 1 0 269.776 1.497 20 70 CDIDRO CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C[NH3+])s1 ZINC000160300634 237173213 /nfs/dbraw/zinc/17/32/13/237173213.db2.gz BOACGIXHRKMIOO-ZJUUUORDSA-N 1 0 283.397 1.722 20 70 CDIDRO CCn1nccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159464027 360193879 /nfs/dbraw/zinc/19/38/79/360193879.db2.gz CPZDXTSHUUPDQP-IHRRRGAJSA-N 1 0 261.369 1.950 20 70 CDIDRO CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c1ccccc1 ZINC000159387128 364197207 /nfs/dbraw/zinc/19/72/07/364197207.db2.gz SSJNERFRKYNBMR-OLZOCXBDSA-N 1 0 264.369 1.741 20 70 CDIDRO C[C@@H](O)CN(C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000159510470 364223396 /nfs/dbraw/zinc/22/33/96/364223396.db2.gz BIBZCGSSKKZREB-NEPJUHHUSA-N 1 0 260.341 1.641 20 70 CDIDRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(CO)CO ZINC000159564060 364235525 /nfs/dbraw/zinc/23/55/25/364235525.db2.gz HIQBLKBKHKHDNM-KGLIPLIRSA-N 1 0 273.417 1.504 20 70 CDIDRO [NH3+]CCCC(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000159826810 364271134 /nfs/dbraw/zinc/27/11/34/364271134.db2.gz UQIBPHMBBLTULP-UHFFFAOYSA-N 1 0 289.379 1.211 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)[NH+](C)C ZINC000159845249 364273197 /nfs/dbraw/zinc/27/31/97/364273197.db2.gz ZQSSQCNAIPWNJH-ZDUSSCGKSA-N 1 0 275.352 1.850 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159504692 364224274 /nfs/dbraw/zinc/22/42/74/364224274.db2.gz NTZVSLBAIDOVQM-LLVKDONJSA-N 1 0 291.380 1.491 20 70 CDIDRO CC[C@@H](C(=O)NCc1cccc2c1OCO2)[NH+](C)C ZINC000160297533 364330573 /nfs/dbraw/zinc/33/05/73/364330573.db2.gz JHQCOKQTEXALCY-NSHDSACASA-N 1 0 264.325 1.372 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160069863 364301913 /nfs/dbraw/zinc/30/19/13/364301913.db2.gz UYOWFSIXWGXDKF-AWEZNQCLSA-N 1 0 278.352 1.323 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC000160498395 364363425 /nfs/dbraw/zinc/36/34/25/364363425.db2.gz QJYZGIUSNCTGBB-GXFFZTMASA-N 1 0 250.317 1.750 20 70 CDIDRO Cc1cnc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000160514719 364365824 /nfs/dbraw/zinc/36/58/24/364365824.db2.gz BBQMSCYGHDNDEO-CYBMUJFWSA-N 1 0 276.384 1.635 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000160593078 364379107 /nfs/dbraw/zinc/37/91/07/364379107.db2.gz QKBAQDSEDMCGDO-HNNXBMFYSA-N 1 0 284.363 1.365 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000160677361 364392390 /nfs/dbraw/zinc/39/23/90/364392390.db2.gz JJAVEMOFQGMEMG-GFCCVEGCSA-N 1 0 297.786 1.312 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccccc1OCC(=O)N(C)C ZINC000161218993 364465136 /nfs/dbraw/zinc/46/51/36/364465136.db2.gz CDGIMGBGXYQLHE-UHFFFAOYSA-N 1 0 294.395 1.358 20 70 CDIDRO Cc1ccc(-c2[nH]nc(NC(=O)CN(C)C)c2C)o1 ZINC000161408415 364489196 /nfs/dbraw/zinc/48/91/96/364489196.db2.gz BHVIVPWLYIUQMY-UHFFFAOYSA-N 1 0 262.313 1.787 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccn(CC(F)F)n1 ZINC000161253819 368041640 /nfs/dbraw/zinc/04/16/40/368041640.db2.gz XDXWIWCTYOENNC-UHFFFAOYSA-N 1 0 274.315 1.852 20 70 CDIDRO CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)C1CCCCC1 ZINC000159497338 284226846 /nfs/dbraw/zinc/22/68/46/284226846.db2.gz VRAXJXMUMBVPJE-OLZOCXBDSA-N 1 0 270.417 1.869 20 70 CDIDRO CC(C)CCC[C@@H](C)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217543666 373715635 /nfs/dbraw/zinc/71/56/35/373715635.db2.gz GOARFNZJNPDSKM-CABCVRRESA-N 1 0 283.460 1.988 20 70 CDIDRO CCN(C(=O)C[NH2+]CCOC)c1nc(C)cs1 ZINC000160178187 377029203 /nfs/dbraw/zinc/02/92/03/377029203.db2.gz RFYCWNQNHIEDEA-UHFFFAOYSA-N 1 0 257.359 1.040 20 70 CDIDRO CCc1c(C(=O)NC2CC[NH+](C)CC2)cnn1CC(C)C ZINC000160247176 377040935 /nfs/dbraw/zinc/04/09/35/377040935.db2.gz QIIBTPMASSVMCA-UHFFFAOYSA-N 1 0 292.427 1.926 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCC(=O)c1cccs1 ZINC000160126093 377049128 /nfs/dbraw/zinc/04/91/28/377049128.db2.gz KODAWGGOFLAQSP-JTQLQIEISA-N 1 0 266.366 1.661 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000160622148 377098138 /nfs/dbraw/zinc/09/81/38/377098138.db2.gz GBZJTCLCPXLVNA-MGPQQGTHSA-N 1 0 280.412 1.792 20 70 CDIDRO CC[N@H+](CCCO)CCCn1c(=O)[nH]c2ccccc21 ZINC000161430904 377620909 /nfs/dbraw/zinc/62/09/09/377620909.db2.gz CCZONGURFNMAOC-UHFFFAOYSA-N 1 0 277.368 1.424 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000159896761 285213550 /nfs/dbraw/zinc/21/35/50/285213550.db2.gz FBJFJQSJVLWJHG-MJBXVCDLSA-N 1 0 295.427 1.537 20 70 CDIDRO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160407669 533555268 /nfs/dbraw/zinc/55/52/68/533555268.db2.gz PESXBMRDRPYWNT-UPJWGTAASA-N 1 0 282.384 1.032 20 70 CDIDRO COC(=O)c1[nH]c(C)c(C(=O)NCC[N@H+](C)C(C)C)c1C ZINC000160512182 533652027 /nfs/dbraw/zinc/65/20/27/533652027.db2.gz COTHSPUHMMXCAK-UHFFFAOYSA-N 1 0 295.383 1.488 20 70 CDIDRO CCCN(Cc1cc2c(c(OC)c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000159982054 392494231 /nfs/dbraw/zinc/49/42/31/392494231.db2.gz XYVQDHAUGHPGJM-ZDUSSCGKSA-N 1 0 292.379 1.998 20 70 CDIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161126184 139911451 /nfs/dbraw/zinc/91/14/51/139911451.db2.gz QXNKRGCAOXLFGZ-AAEUAGOBSA-N 1 0 280.343 1.851 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)Cc1cccc(N)c1 ZINC000218018771 140165321 /nfs/dbraw/zinc/16/53/21/140165321.db2.gz CVZCEPWMKFKUTG-UHFFFAOYSA-N 1 0 263.385 1.659 20 70 CDIDRO CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848520 140165441 /nfs/dbraw/zinc/16/54/41/140165441.db2.gz VPDZJUYPKQTQRW-GDBMZVCRSA-N 1 0 293.455 1.851 20 70 CDIDRO N[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806924 140165727 /nfs/dbraw/zinc/16/57/27/140165727.db2.gz MTCZEZZNFVQKOF-KKUMJFAQSA-N 1 0 273.380 1.429 20 70 CDIDRO CO[C@H]1CCN(CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201797 286058638 /nfs/dbraw/zinc/05/86/38/286058638.db2.gz CBFYNTMFMXGEEC-QWRGUYRKSA-N 1 0 284.322 1.394 20 70 CDIDRO O=C(NCCN1CC[NH2+]CC1)NCc1cccc(Cl)c1 ZINC000217314866 260107787 /nfs/dbraw/zinc/10/77/87/260107787.db2.gz YKZAHCOITDKPPL-UHFFFAOYSA-N 1 0 296.802 1.044 20 70 CDIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000161476624 275904215 /nfs/dbraw/zinc/90/42/15/275904215.db2.gz AZWOAQIRDHCZQU-JSGCOSHPSA-N 1 0 256.365 1.973 20 70 CDIDRO CC(C)[N@H+](CCO)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000217662483 280089223 /nfs/dbraw/zinc/08/92/23/280089223.db2.gz RZERBNOLEOXAJL-HUUCEWRRSA-N 1 0 282.428 1.870 20 70 CDIDRO COC(=O)C[C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160479721 292787778 /nfs/dbraw/zinc/78/77/78/292787778.db2.gz KGNSSZUSHYNFLW-GFCCVEGCSA-N 1 0 292.379 1.564 20 70 CDIDRO C[C@@H](OCC1CC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159802327 482751633 /nfs/dbraw/zinc/75/16/33/482751633.db2.gz XPTUGTVMBSXLRO-GFCCVEGCSA-N 1 0 280.412 1.792 20 70 CDIDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccccn1 ZINC000159956198 482772735 /nfs/dbraw/zinc/77/27/35/482772735.db2.gz NWDMIJBWCBOQNF-UHFFFAOYSA-N 1 0 273.340 1.043 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000160842532 482830971 /nfs/dbraw/zinc/83/09/71/482830971.db2.gz TYJJNGCZNLWKTC-ZIAGYGMSSA-N 1 0 295.427 1.459 20 70 CDIDRO COc1ccccc1OCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160956300 482845409 /nfs/dbraw/zinc/84/54/09/482845409.db2.gz HLLWRHTVSLFCJY-STQMWFEESA-N 1 0 292.379 1.850 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC000161311588 482873793 /nfs/dbraw/zinc/87/37/93/482873793.db2.gz NFQHHWSXUHYPAT-QWHCGFSZSA-N 1 0 280.343 1.981 20 70 CDIDRO COc1ccc(OC)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161361984 482874931 /nfs/dbraw/zinc/87/49/31/482874931.db2.gz WCFSOPPGYBMHAZ-WDEREUQCSA-N 1 0 278.352 1.704 20 70 CDIDRO CC(C)[N@H+](C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000160495618 519625524 /nfs/dbraw/zinc/62/55/24/519625524.db2.gz XANKYHQWCDWRNO-UHFFFAOYSA-N 1 0 275.356 1.038 20 70 CDIDRO COC1(C(=O)N2CCS[C@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC000161432421 536523211 /nfs/dbraw/zinc/52/32/11/536523211.db2.gz LLVOKSYABQFEDC-OLZOCXBDSA-N 1 0 298.452 1.642 20 70 CDIDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C(F)(F)F)nn1 ZINC000218078780 282143919 /nfs/dbraw/zinc/14/39/19/282143919.db2.gz QPQGGILDRUXWEV-SNVBAGLBSA-N 1 0 278.278 1.220 20 70 CDIDRO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160789983 539116841 /nfs/dbraw/zinc/11/68/41/539116841.db2.gz ZINLVNQWNKGMNY-FZMZJTMJSA-N 1 0 262.353 1.716 20 70 CDIDRO Cc1nc([C@@H](NC(=O)[C@H](C)[NH3+])c2ccccc2F)no1 ZINC000160137958 362036262 /nfs/dbraw/zinc/03/62/62/362036262.db2.gz YYNUXVGQTQDLDK-CPCISQLKSA-N 1 0 278.287 1.070 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160143267 362038260 /nfs/dbraw/zinc/03/82/60/362038260.db2.gz OOCHMQSYLWECRF-QWHCGFSZSA-N 1 0 275.352 1.036 20 70 CDIDRO O=C(NCC1C2CC3CC(C2)CC1C3)[C@@H]1CC[NH2+]C1 ZINC000216795175 342439457 /nfs/dbraw/zinc/43/94/57/342439457.db2.gz AOQYDOGRZHSNKD-ZPRMVTFISA-N 1 0 262.397 1.784 20 70 CDIDRO [NH3+]C1(CNC(=O)COCC(F)(F)F)CCCCC1 ZINC000159493529 362327759 /nfs/dbraw/zinc/32/77/59/362327759.db2.gz XEMOFQAQHXNYDK-UHFFFAOYSA-N 1 0 268.279 1.343 20 70 CDIDRO Cc1cccn2c(=O)cc(CN(C)[C@H](C[NH3+])C3CC3)nc12 ZINC000160140650 362396186 /nfs/dbraw/zinc/39/61/86/362396186.db2.gz ZXILHWIRUFPDCO-CQSZACIVSA-N 1 0 286.379 1.172 20 70 CDIDRO C[C@H](CO)C[NH2+]Cc1cncc(Br)c1 ZINC000160582752 362451699 /nfs/dbraw/zinc/45/16/99/362451699.db2.gz YBFFHMIZQSLFCM-QMMMGPOBSA-N 1 0 259.147 1.562 20 70 CDIDRO O=C(C[NH2+]C1Cc2ccccc2C1)NCC(F)(F)F ZINC000160591300 362452475 /nfs/dbraw/zinc/45/24/75/362452475.db2.gz SLRMNSNLSQVCFA-UHFFFAOYSA-N 1 0 272.270 1.422 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(C2CC2)n1 ZINC000161199349 530003167 /nfs/dbraw/zinc/00/31/67/530003167.db2.gz RBRSCSOAQBGNLT-SNVBAGLBSA-N 1 0 265.382 1.845 20 70 CDIDRO CCCCN(CCO)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160620881 346179905 /nfs/dbraw/zinc/17/99/05/346179905.db2.gz FQIGVKTZXAYAQQ-CQSZACIVSA-N 1 0 283.416 1.275 20 70 CDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCCC[C@@H]1O ZINC000160732211 346280603 /nfs/dbraw/zinc/28/06/03/346280603.db2.gz VCFBHWKKHMVICM-RDBSUJKOSA-N 1 0 281.400 1.073 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccccc1 ZINC000159914209 282593841 /nfs/dbraw/zinc/59/38/41/282593841.db2.gz PZEMNCHTFIYAOV-AWEZNQCLSA-N 1 0 282.409 1.228 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000159630951 363086324 /nfs/dbraw/zinc/08/63/24/363086324.db2.gz SAPXDLZKFVLRIA-ZDUSSCGKSA-N 1 0 287.367 1.638 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000160541847 188479556 /nfs/dbraw/zinc/47/95/56/188479556.db2.gz PWQKKVFAHYOKAQ-BXUZGUMPSA-N 1 0 292.354 1.855 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)NC[C@H](C)SC)CC1 ZINC000159732000 363249831 /nfs/dbraw/zinc/24/98/31/363249831.db2.gz AKOPPYFXWPHAEN-NSHDSACASA-N 1 0 289.445 1.148 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000159782200 363303744 /nfs/dbraw/zinc/30/37/44/363303744.db2.gz CZGSRBHYUVSWPQ-UHFFFAOYSA-N 1 0 297.443 1.786 20 70 CDIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1nnnn1-c1ccccc1 ZINC000159882649 363406117 /nfs/dbraw/zinc/40/61/17/363406117.db2.gz GGSQCNXCRQCTFT-LLVKDONJSA-N 1 0 275.356 1.474 20 70 CDIDRO CCCNC(=O)C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000160412283 283357984 /nfs/dbraw/zinc/35/79/84/283357984.db2.gz CQLWHCYDPDIEAS-AWEZNQCLSA-N 1 0 256.390 1.386 20 70 CDIDRO COCCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000161078846 237188535 /nfs/dbraw/zinc/18/85/35/237188535.db2.gz ADQPKUXCVKSYJD-CQSZACIVSA-N 1 0 297.443 1.785 20 70 CDIDRO C[C@H](CS(C)(=O)=O)N(C)CCC[NH+]1CCCCC1 ZINC000161074676 237191227 /nfs/dbraw/zinc/19/12/27/237191227.db2.gz FLRKMRQIHRGCIB-CYBMUJFWSA-N 1 0 276.446 1.227 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000160275210 237173527 /nfs/dbraw/zinc/17/35/27/237173527.db2.gz ITWSMURHKKMLAF-CYBMUJFWSA-N 1 0 290.363 1.340 20 70 CDIDRO COC(=O)Nc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160108024 363671456 /nfs/dbraw/zinc/67/14/56/363671456.db2.gz OVFOYAXVALGKDN-UHFFFAOYSA-N 1 0 265.313 1.332 20 70 CDIDRO CC(=O)N(Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1)C1CC1 ZINC000160952322 360095733 /nfs/dbraw/zinc/09/57/33/360095733.db2.gz IYORQGKWUXMPBU-JTQLQIEISA-N 1 0 275.352 1.483 20 70 CDIDRO CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000160974909 360463362 /nfs/dbraw/zinc/46/33/62/360463362.db2.gz FFSXGCFKSAQERI-HUUCEWRRSA-N 1 0 292.379 1.375 20 70 CDIDRO Cc1ccc(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161121602 482861495 /nfs/dbraw/zinc/86/14/95/482861495.db2.gz UTRKNQFPCVAISW-OLZOCXBDSA-N 1 0 260.337 1.564 20 70 CDIDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159501212 364222171 /nfs/dbraw/zinc/22/21/71/364222171.db2.gz IBZOAXQKGIIUJS-OLZOCXBDSA-N 1 0 264.369 1.943 20 70 CDIDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1nccs1 ZINC000159414998 364202201 /nfs/dbraw/zinc/20/22/01/364202201.db2.gz QFFTZEAORQWADS-UHFFFAOYSA-N 1 0 290.392 1.596 20 70 CDIDRO Cc1ccc(NC(=O)CC[NH3+])cc1C(=O)NC(C)C ZINC000159498529 364219714 /nfs/dbraw/zinc/21/97/14/364219714.db2.gz FULAOKKIMMGBHI-UHFFFAOYSA-N 1 0 263.341 1.421 20 70 CDIDRO Cc1cccc2c(CCNC(=O)[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000159559419 364233871 /nfs/dbraw/zinc/23/38/71/364233871.db2.gz SWEUEIUBYPSFDH-AWEZNQCLSA-N 1 0 271.364 1.887 20 70 CDIDRO Cc1ccccc1[C@H](O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000159843885 364273664 /nfs/dbraw/zinc/27/36/64/364273664.db2.gz QVJMFZNEIHZUTF-CHWSQXEVSA-N 1 0 250.342 1.128 20 70 CDIDRO C[C@H](CO)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160364519 364341533 /nfs/dbraw/zinc/34/15/33/364341533.db2.gz YIURYDARGJMFAX-GDBMZVCRSA-N 1 0 290.407 1.738 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000160366801 364342280 /nfs/dbraw/zinc/34/22/80/364342280.db2.gz HRMKUFJGJYWUPJ-VIFPVBQESA-N 1 0 261.281 1.498 20 70 CDIDRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCC[NH3+])c1 ZINC000160140928 364309957 /nfs/dbraw/zinc/30/99/57/364309957.db2.gz BBGSDYALZYAVQC-JTQLQIEISA-N 1 0 270.760 1.881 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn1C ZINC000160537423 364369604 /nfs/dbraw/zinc/36/96/04/364369604.db2.gz ZIKTUYURTRFTGZ-CYBMUJFWSA-N 1 0 263.385 1.875 20 70 CDIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000160699520 364397053 /nfs/dbraw/zinc/39/70/53/364397053.db2.gz LNRGNSNCAIPHAX-SWLSCSKDSA-N 1 0 274.364 1.321 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000160786806 364408774 /nfs/dbraw/zinc/40/87/74/364408774.db2.gz IHDJKRCDGJNHGR-OAHLLOKOSA-N 1 0 284.363 1.365 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000160971787 364435337 /nfs/dbraw/zinc/43/53/37/364435337.db2.gz VQBCGSUSSKNYGN-WYRIXSBYSA-N 1 0 282.409 1.599 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000161379790 364485768 /nfs/dbraw/zinc/48/57/68/364485768.db2.gz WSKQIJMBROPJQF-UYSNPLJNSA-N 1 0 294.370 1.896 20 70 CDIDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000218069843 367259418 /nfs/dbraw/zinc/25/94/18/367259418.db2.gz BDHOVCBFNBHWNQ-UHFFFAOYSA-N 1 0 293.367 1.400 20 70 CDIDRO CSC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000217844786 367259454 /nfs/dbraw/zinc/25/94/54/367259454.db2.gz ITGSUHNEZZKHPC-AWEZNQCLSA-N 1 0 292.408 1.675 20 70 CDIDRO CCN(C(=O)CN(C)[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000160046953 284149038 /nfs/dbraw/zinc/14/90/38/284149038.db2.gz OUQHQOBTCFHVOK-OAHLLOKOSA-N 1 0 281.444 1.837 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000161436010 373734165 /nfs/dbraw/zinc/73/41/65/373734165.db2.gz OTPMJWLMDNKGJW-KGLIPLIRSA-N 1 0 284.363 1.872 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449413 375371468 /nfs/dbraw/zinc/37/14/68/375371468.db2.gz LEJUYYHOICIBKF-CMPLNLGQSA-N 1 0 278.327 1.594 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1F ZINC000160580447 377087619 /nfs/dbraw/zinc/08/76/19/377087619.db2.gz MBOODGXWIHJQPT-UHFFFAOYSA-N 1 0 280.343 1.260 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC000160551262 532957417 /nfs/dbraw/zinc/95/74/17/532957417.db2.gz BYCQWXDAESFQAO-GFCCVEGCSA-N 1 0 266.316 1.415 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)COc2ccccc2)C1 ZINC000160617084 533036840 /nfs/dbraw/zinc/03/68/40/533036840.db2.gz XOGWEMAAIYRXKV-STQMWFEESA-N 1 0 262.353 1.522 20 70 CDIDRO CC(C)c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217830505 130763510 /nfs/dbraw/zinc/76/35/10/130763510.db2.gz CLARUPUMSWGCBT-NILFDRSVSA-N 1 0 276.380 1.710 20 70 CDIDRO C[C@H](O)C[C@@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000217323383 140162910 /nfs/dbraw/zinc/16/29/10/140162910.db2.gz GNLXXCBNZHIUKZ-STQMWFEESA-N 1 0 278.400 1.740 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccccc1 ZINC000159914362 277001943 /nfs/dbraw/zinc/00/19/43/277001943.db2.gz PZEMNCHTFIYAOV-CQSZACIVSA-N 1 0 282.409 1.228 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000161113523 278938370 /nfs/dbraw/zinc/93/83/70/278938370.db2.gz QLWOBNMQVIREEG-XQQFMLRXSA-N 1 0 268.401 1.968 20 70 CDIDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000217481293 280088911 /nfs/dbraw/zinc/08/89/11/280088911.db2.gz HWKLZKNWPLIFLP-RQOWECAXSA-N 1 0 288.347 1.626 20 70 CDIDRO CCOC(=O)NCCCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159374650 292757812 /nfs/dbraw/zinc/75/78/12/292757812.db2.gz GYUDEXSXWRPMFR-CYBMUJFWSA-N 1 0 299.415 1.361 20 70 CDIDRO C[NH+](C)C[C@@H]1CN(Cc2cnc3ccccn23)CCO1 ZINC000160117905 292777877 /nfs/dbraw/zinc/77/78/77/292777877.db2.gz HWOKQVXBBIHSMF-CQSZACIVSA-N 1 0 274.368 1.097 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)Cn2ccnc2C)CC1 ZINC000161258136 292803341 /nfs/dbraw/zinc/80/33/41/292803341.db2.gz CTCGFKAJKCCIGB-UWTIGNOOSA-N 1 0 292.427 1.865 20 70 CDIDRO CC1(C)[C@H](NC(=O)CC2([NH3+])CCC2)[C@H]2CCO[C@@H]21 ZINC000159548040 482707467 /nfs/dbraw/zinc/70/74/67/482707467.db2.gz UIBZHLPHQBNCQA-JLLWLGSASA-N 1 0 252.358 1.188 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000160891684 482836765 /nfs/dbraw/zinc/83/67/65/482836765.db2.gz OKSYGEZHOJXFKH-NEPJUHHUSA-N 1 0 268.307 1.893 20 70 CDIDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161068791 482858969 /nfs/dbraw/zinc/85/89/69/482858969.db2.gz RSOPGOGIOSHKQI-XUXIUFHCSA-N 1 0 284.400 1.347 20 70 CDIDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161132856 482863548 /nfs/dbraw/zinc/86/35/48/482863548.db2.gz VIEHZACACQJINK-YPMHNXCESA-N 1 0 275.352 1.320 20 70 CDIDRO CCN(CC)C(=O)CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161224346 482868235 /nfs/dbraw/zinc/86/82/35/482868235.db2.gz JOBMNLCPOKZNAP-VXGBXAGGSA-N 1 0 269.389 1.021 20 70 CDIDRO Cc1ccc(-n2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)nn2)cc1 ZINC000161503753 482881068 /nfs/dbraw/zinc/88/10/68/482881068.db2.gz FQRJZWLMSVPKKZ-CHWSQXEVSA-N 1 0 299.378 1.575 20 70 CDIDRO CCc1ccc(CC(=O)NCCC[N@H+](C)CCOC)cc1 ZINC000160431055 523907519 /nfs/dbraw/zinc/90/75/19/523907519.db2.gz YHAXUTVVTNLOOA-UHFFFAOYSA-N 1 0 292.423 1.876 20 70 CDIDRO FC(F)CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161302430 527692966 /nfs/dbraw/zinc/69/29/66/527692966.db2.gz SBVVXGOTKSCGSO-UHFFFAOYSA-N 1 0 275.387 1.745 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C(C)C)nn1C ZINC000160541836 528947156 /nfs/dbraw/zinc/94/71/56/528947156.db2.gz LIEYKMCCAQITDC-UHFFFAOYSA-N 1 0 266.389 1.791 20 70 CDIDRO CC(C)[NH2+]CCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160637924 342483150 /nfs/dbraw/zinc/48/31/50/342483150.db2.gz TXEYBOLYBDURDJ-UHFFFAOYSA-N 1 0 267.373 1.976 20 70 CDIDRO CC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)n(C)c1 ZINC000160902296 539086291 /nfs/dbraw/zinc/08/62/91/539086291.db2.gz IDTJNWRBAQEBBH-RYUDHWBXSA-N 1 0 263.341 1.227 20 70 CDIDRO COC(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1Cl ZINC000161061616 361823993 /nfs/dbraw/zinc/82/39/93/361823993.db2.gz MMBUTYOVARWUNB-UHFFFAOYSA-N 1 0 270.716 1.802 20 70 CDIDRO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000159546912 539114330 /nfs/dbraw/zinc/11/43/30/539114330.db2.gz BBHQJECZNGQSTH-ILXRZTDVSA-N 1 0 297.443 1.521 20 70 CDIDRO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160841717 539116881 /nfs/dbraw/zinc/11/68/81/539116881.db2.gz WEHIHCUMGZRHSH-ABAIWWIYSA-N 1 0 294.370 1.533 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)CC2 ZINC000160432693 342374079 /nfs/dbraw/zinc/37/40/79/342374079.db2.gz HICIIYJVJHTPPM-LBPRGKRZSA-N 1 0 299.369 1.220 20 70 CDIDRO CC(=O)N[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)C(C)C ZINC000159673520 342366766 /nfs/dbraw/zinc/36/67/66/342366766.db2.gz SGIGGVYBHDKGHO-OAHLLOKOSA-N 1 0 297.443 1.576 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161191914 342396077 /nfs/dbraw/zinc/39/60/77/342396077.db2.gz WEDJJSACOLYFNJ-UHFFFAOYSA-N 1 0 278.278 1.772 20 70 CDIDRO COC[C@@H](NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000216736907 342439409 /nfs/dbraw/zinc/43/94/09/342439409.db2.gz MWZUGTLULJBZPP-CQSZACIVSA-N 1 0 252.333 1.855 20 70 CDIDRO C[N@H+](CCOCC(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159618730 529921270 /nfs/dbraw/zinc/92/12/70/529921270.db2.gz XRAVAPCBOJWPCY-UWVGGRQHSA-N 1 0 255.280 1.658 20 70 CDIDRO COC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160665936 346191177 /nfs/dbraw/zinc/19/11/77/346191177.db2.gz HKTXQJANJGODLL-HUUCEWRRSA-N 1 0 295.427 1.539 20 70 CDIDRO CCOCCN(CC)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160684535 346194959 /nfs/dbraw/zinc/19/49/59/346194959.db2.gz CQAHWZVOKSOSFS-CQSZACIVSA-N 1 0 283.416 1.539 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000161093947 362956261 /nfs/dbraw/zinc/95/62/61/362956261.db2.gz SEOREMPSYPMBAZ-WDEREUQCSA-N 1 0 254.399 1.898 20 70 CDIDRO CCOc1ccc(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000159375454 188423012 /nfs/dbraw/zinc/42/30/12/188423012.db2.gz JFBLAIVYAPTJLX-QGZVFWFLSA-N 1 0 288.391 1.840 20 70 CDIDRO [NH3+]CCCNC(=O)/C=C/c1ccccc1OC(F)F ZINC000160072966 188454004 /nfs/dbraw/zinc/45/40/04/188454004.db2.gz QZZVBOPSSGHIMJ-VOTSOKGWSA-N 1 0 270.279 1.766 20 70 CDIDRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160200358 188459166 /nfs/dbraw/zinc/45/91/66/188459166.db2.gz YDXIZHFPMGTGCR-ZYHUDNBSSA-N 1 0 266.316 1.543 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159808188 363329204 /nfs/dbraw/zinc/32/92/04/363329204.db2.gz JLEPRCIHMJGSPG-MNOVXSKESA-N 1 0 259.419 1.379 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 ZINC000160273506 237174142 /nfs/dbraw/zinc/17/41/42/237174142.db2.gz GUNUONUFSVQRKY-OAHLLOKOSA-N 1 0 284.363 1.495 20 70 CDIDRO CC[C@H](C)OCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160133681 363682464 /nfs/dbraw/zinc/68/24/64/363682464.db2.gz IBFBWQSLSZWHKC-RYUDHWBXSA-N 1 0 254.374 1.402 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)NCCCc1cccc(F)c1 ZINC000159453833 361702931 /nfs/dbraw/zinc/70/29/31/361702931.db2.gz JWHNXOOAHAQDDO-CYBMUJFWSA-N 1 0 252.333 1.858 20 70 CDIDRO CCc1ncnc(NCC2CC[NH+](CCO)CC2)c1F ZINC000159420783 361692167 /nfs/dbraw/zinc/69/21/67/361692167.db2.gz DXUHICDTOOAIIM-UHFFFAOYSA-N 1 0 282.363 1.294 20 70 CDIDRO CCc1nnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000159421265 361694242 /nfs/dbraw/zinc/69/42/42/361694242.db2.gz QXTZXLJWGJZXOQ-TZMCWYRMSA-N 1 0 289.427 1.816 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000160458959 363879453 /nfs/dbraw/zinc/87/94/53/363879453.db2.gz KCPBGZUZWWTPJO-KGLIPLIRSA-N 1 0 268.401 1.792 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745896 364260854 /nfs/dbraw/zinc/26/08/54/364260854.db2.gz HCZHZWYXDHZXTF-SKDRFNHKSA-N 1 0 295.770 1.251 20 70 CDIDRO C[C@@H](CO)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160364663 364341318 /nfs/dbraw/zinc/34/13/18/364341318.db2.gz YIURYDARGJMFAX-HOCLYGCPSA-N 1 0 290.407 1.738 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000160158912 364312628 /nfs/dbraw/zinc/31/26/28/364312628.db2.gz JRUKBVVJNKKHQA-ROJDOSBLSA-N 1 0 296.374 1.835 20 70 CDIDRO Cc1ccc(C(=O)CCN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 ZINC000160175192 364315051 /nfs/dbraw/zinc/31/50/51/364315051.db2.gz SFWDDKRWKXKUCE-IUODEOHRSA-N 1 0 290.363 1.142 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC000160498123 364363621 /nfs/dbraw/zinc/36/36/21/364363621.db2.gz QJYZGIUSNCTGBB-GWCFXTLKSA-N 1 0 250.317 1.750 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000160508640 364364353 /nfs/dbraw/zinc/36/43/53/364364353.db2.gz YGNPAJGCOMWHBT-ZWNOBZJWSA-N 1 0 266.316 1.334 20 70 CDIDRO CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)CO)c1ccccc1 ZINC000160529599 364367214 /nfs/dbraw/zinc/36/72/14/364367214.db2.gz BPPDXLNKWUSIKS-HIFRSBDPSA-N 1 0 278.396 1.814 20 70 CDIDRO COc1ccc([C@H](C)CCNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000160555686 364372263 /nfs/dbraw/zinc/37/22/63/364372263.db2.gz ZRMNKCQNCLCQFG-IUODEOHRSA-N 1 0 292.379 1.293 20 70 CDIDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160916799 364427477 /nfs/dbraw/zinc/42/74/77/364427477.db2.gz RXPDLVWQJDDTAK-GFCCVEGCSA-N 1 0 279.315 1.418 20 70 CDIDRO CC(C)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cn1 ZINC000161199282 364462821 /nfs/dbraw/zinc/46/28/21/364462821.db2.gz BFKBEDIRASMKDZ-CYBMUJFWSA-N 1 0 291.395 1.656 20 70 CDIDRO CC[C@H](C(=O)Nc1cccc(CC(=O)OC)c1)[NH+](C)C ZINC000161274453 364473572 /nfs/dbraw/zinc/47/35/72/364473572.db2.gz YHNKILMWBFPCEJ-CYBMUJFWSA-N 1 0 278.352 1.681 20 70 CDIDRO COC(C[N@H+](CCO)[C@H]1CCc2ccccc21)OC ZINC000161430280 364491923 /nfs/dbraw/zinc/49/19/23/364491923.db2.gz LGWJUFIYUDNVOS-AWEZNQCLSA-N 1 0 265.353 1.587 20 70 CDIDRO CC(C)[C@H]([NH2+]CC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000161474463 364499725 /nfs/dbraw/zinc/49/97/25/364499725.db2.gz GXIAVEOVDJMVBY-INIZCTEOSA-N 1 0 292.379 1.833 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450219 375371903 /nfs/dbraw/zinc/37/19/03/375371903.db2.gz LEJUYYHOICIBKF-ZYHUDNBSSA-N 1 0 278.327 1.594 20 70 CDIDRO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161478580 375484609 /nfs/dbraw/zinc/48/46/09/375484609.db2.gz HEWCLDBECAYCIL-TZMCWYRMSA-N 1 0 289.379 1.204 20 70 CDIDRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000160742791 377112585 /nfs/dbraw/zinc/11/25/85/377112585.db2.gz WMUFDIKGTJLDEZ-GXTWGEPZSA-N 1 0 256.390 1.386 20 70 CDIDRO CCc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159924967 139907684 /nfs/dbraw/zinc/90/76/84/139907684.db2.gz XXDBXUJLNYIIJR-CQSZACIVSA-N 1 0 282.409 1.607 20 70 CDIDRO CCOc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159961498 139908109 /nfs/dbraw/zinc/90/81/09/139908109.db2.gz RXJHRSSJZYCJPE-AWEZNQCLSA-N 1 0 298.408 1.443 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C12CCC2 ZINC000160996081 286253826 /nfs/dbraw/zinc/25/38/26/286253826.db2.gz HDQGOYVVDIBRHB-CHWSQXEVSA-N 1 0 296.411 1.219 20 70 CDIDRO CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])C[C@H](C)O1 ZINC000161193753 165030341 /nfs/dbraw/zinc/03/03/41/165030341.db2.gz FNVRPOZPGGPLSZ-RYUDHWBXSA-N 1 0 256.390 1.777 20 70 CDIDRO CC1(C)C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161360930 276098336 /nfs/dbraw/zinc/09/83/36/276098336.db2.gz CNXKKVMQXOOZEZ-UHFFFAOYSA-N 1 0 253.390 1.073 20 70 CDIDRO CC[C@H](C(=O)N[C@H]1CCC[C@H]2OCC[C@@H]21)[NH+](C)C ZINC000159777906 276546652 /nfs/dbraw/zinc/54/66/52/276546652.db2.gz BYSNUERJDLCHQK-YVECIDJPSA-N 1 0 254.374 1.400 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000161375711 277278219 /nfs/dbraw/zinc/27/82/19/277278219.db2.gz KBJWJXSONHKWBB-AWEZNQCLSA-N 1 0 284.363 1.696 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCCCC1)C(=O)OC ZINC000159685108 292765204 /nfs/dbraw/zinc/76/52/04/292765204.db2.gz UUABJVNRDTYXBX-UHFFFAOYSA-N 1 0 284.400 1.568 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000159709681 292766789 /nfs/dbraw/zinc/76/67/89/292766789.db2.gz PCZJBDSBFNDELH-RYUDHWBXSA-N 1 0 283.416 1.726 20 70 CDIDRO CO[C@@H]1CCN(C(=O)C2CCCCCC2)[C@H](C[NH3+])C1 ZINC000161134317 293725761 /nfs/dbraw/zinc/72/57/61/293725761.db2.gz XTRBSPPFZFZMON-UONOGXRCSA-N 1 0 268.401 1.922 20 70 CDIDRO CO[C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000159490349 482671978 /nfs/dbraw/zinc/67/19/78/482671978.db2.gz KEYIRYUSFHLYMT-CHWSQXEVSA-N 1 0 282.771 1.896 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000160203603 482788612 /nfs/dbraw/zinc/78/86/12/482788612.db2.gz BFVVJWFKVIYACB-LBPRGKRZSA-N 1 0 264.373 1.394 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC000161094324 482859657 /nfs/dbraw/zinc/85/96/57/482859657.db2.gz XDWLOPNWDGAOLQ-UHFFFAOYSA-N 1 0 262.357 1.247 20 70 CDIDRO C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161186102 482867844 /nfs/dbraw/zinc/86/78/44/482867844.db2.gz PTWOJLFPWNIVKO-AVGNSLFASA-N 1 0 262.353 1.840 20 70 CDIDRO C[C@@H](CS(C)(=O)=O)N(C)CCC[NH+]1CCCCC1 ZINC000161074568 534184172 /nfs/dbraw/zinc/18/41/72/534184172.db2.gz FLRKMRQIHRGCIB-ZDUSSCGKSA-N 1 0 276.446 1.227 20 70 CDIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)on1 ZINC000161313509 522419652 /nfs/dbraw/zinc/41/96/52/522419652.db2.gz AJTXDMGIEUVHRN-MNOVXSKESA-N 1 0 265.357 1.870 20 70 CDIDRO COC(=O)C[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161397960 523298040 /nfs/dbraw/zinc/29/80/40/523298040.db2.gz ZRMUYSOSLIAVNT-CQSZACIVSA-N 1 0 284.400 1.126 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H](C[NH3+])C1 ZINC000161139198 523666193 /nfs/dbraw/zinc/66/61/93/523666193.db2.gz IQMKAIXQMAUCPX-UONOGXRCSA-N 1 0 268.401 1.922 20 70 CDIDRO CO[C@@H]1CCN(Cc2noc(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161177113 523689857 /nfs/dbraw/zinc/68/98/57/523689857.db2.gz OWGVXQXNANDYDR-GHMZBOCLSA-N 1 0 268.361 1.131 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000161405459 525542541 /nfs/dbraw/zinc/54/25/41/525542541.db2.gz ZSNCVUMQGOWSCN-GFCCVEGCSA-N 1 0 274.430 1.342 20 70 CDIDRO CCN(CCC[NH+]1CCCCC1)[C@H](C)CS(C)(=O)=O ZINC000161094259 528450647 /nfs/dbraw/zinc/45/06/47/528450647.db2.gz SAHSYWVPHNFIAD-CQSZACIVSA-N 1 0 290.473 1.617 20 70 CDIDRO CCOCCCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159697591 361789814 /nfs/dbraw/zinc/78/98/14/361789814.db2.gz GJXFGXGRSCDVQN-UHFFFAOYSA-N 1 0 271.405 1.540 20 70 CDIDRO CN(C(=O)c1cccc2cc[nH]c21)[C@@H](C[NH3+])C1CC1 ZINC000159808352 342072786 /nfs/dbraw/zinc/07/27/86/342072786.db2.gz SNKHKOSEELLRTO-ZDUSSCGKSA-N 1 0 257.337 1.977 20 70 CDIDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)(C)C)ns3)C[C@@H]21 ZINC000159975257 361985740 /nfs/dbraw/zinc/98/57/40/361985740.db2.gz NICCRRBOIFFZCR-VHSXEESVSA-N 1 0 282.413 1.355 20 70 CDIDRO CCc1ccc([C@@H](CO)[NH2+]Cc2cncn2C)cc1 ZINC000160820061 362182375 /nfs/dbraw/zinc/18/23/75/362182375.db2.gz WAPYFCNONSYZGO-OAHLLOKOSA-N 1 0 259.353 1.806 20 70 CDIDRO CCCN(CC(=O)NC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160806746 362177716 /nfs/dbraw/zinc/17/77/16/362177716.db2.gz RZRDVIPLZFRSLJ-UHFFFAOYSA-N 1 0 291.395 1.346 20 70 CDIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCN1C ZINC000160982245 346993980 /nfs/dbraw/zinc/99/39/80/346993980.db2.gz MRJQCENVGNENOQ-GFCCVEGCSA-N 1 0 264.417 1.729 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000159429808 362321012 /nfs/dbraw/zinc/32/10/12/362321012.db2.gz KVMXJJZIHCXJGO-CYBMUJFWSA-N 1 0 293.367 1.583 20 70 CDIDRO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995659 362387268 /nfs/dbraw/zinc/38/72/68/362387268.db2.gz ZIJMKFFAVMQYPJ-PWSUYJOCSA-N 1 0 278.352 1.593 20 70 CDIDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)OCCCO3)CCOC1 ZINC000160088841 362392558 /nfs/dbraw/zinc/39/25/58/362392558.db2.gz YZWNPDQKDPLRLK-INIZCTEOSA-N 1 0 293.363 1.743 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000161283913 362403871 /nfs/dbraw/zinc/40/38/71/362403871.db2.gz OHVFNDLZOAGLPW-LLVKDONJSA-N 1 0 272.352 1.316 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000160320986 362412336 /nfs/dbraw/zinc/41/23/36/362412336.db2.gz QRXPGCCOHVIXNK-SSDOTTSWSA-N 1 0 289.198 1.613 20 70 CDIDRO CCN1CCC([N@H+](C)CCCS(=O)(=O)C(C)C)CC1 ZINC000160658639 362464693 /nfs/dbraw/zinc/46/46/93/362464693.db2.gz PIMWTPXLYPBQQA-UHFFFAOYSA-N 1 0 290.473 1.616 20 70 CDIDRO CCC[C@H](O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160930417 362554828 /nfs/dbraw/zinc/55/48/28/362554828.db2.gz HSXMEQCVLCXLKG-GJZGRUSLSA-N 1 0 299.459 1.957 20 70 CDIDRO O=C(NCC1C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000216795216 346006457 /nfs/dbraw/zinc/00/64/57/346006457.db2.gz AOQYDOGRZHSNKD-FZLLLIJMSA-N 1 0 262.397 1.784 20 70 CDIDRO O=C(NCc1ncccc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159633594 363090470 /nfs/dbraw/zinc/09/04/70/363090470.db2.gz AGBPUIILTXCBGO-NSHDSACASA-N 1 0 292.358 1.504 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000160050641 188452300 /nfs/dbraw/zinc/45/23/00/188452300.db2.gz UZQRYBHJGFZRKQ-UHFFFAOYSA-N 1 0 289.379 1.357 20 70 CDIDRO COC(=O)c1cc(NC(=O)C[C@H]2C[NH2+]CCO2)ccc1C ZINC000161490549 188530786 /nfs/dbraw/zinc/53/07/86/188530786.db2.gz TUTGNEZRSBBZHC-LBPRGKRZSA-N 1 0 292.335 1.099 20 70 CDIDRO CC1(C[NH2+]Cc2cncc(Br)c2)COC1 ZINC000160587774 358745660 /nfs/dbraw/zinc/74/56/60/358745660.db2.gz LUCCGZGLPGFBPF-UHFFFAOYSA-N 1 0 271.158 1.970 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc(=O)[nH]c2ccccc12 ZINC000161048623 237189097 /nfs/dbraw/zinc/18/90/97/237189097.db2.gz REVDYRDUQMQDQD-LBPRGKRZSA-N 1 0 285.347 1.286 20 70 CDIDRO O=C(C[C@H]1C[NH2+]CCO1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161220502 237197781 /nfs/dbraw/zinc/19/77/81/237197781.db2.gz KPEGCQXMYIGYDL-CABCVRRESA-N 1 0 296.411 1.315 20 70 CDIDRO CC[C@H](C)OCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160133947 363682629 /nfs/dbraw/zinc/68/26/29/363682629.db2.gz IBFBWQSLSZWHKC-NWDGAFQWSA-N 1 0 254.374 1.402 20 70 CDIDRO CC(=O)N(Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1)C(C)C ZINC000160954713 360105833 /nfs/dbraw/zinc/10/58/33/360105833.db2.gz MPPRMLYXTUDIBC-NSHDSACASA-N 1 0 277.368 1.729 20 70 CDIDRO C[N@@H+]1CC[C@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160321660 363816047 /nfs/dbraw/zinc/81/60/47/363816047.db2.gz CHZQIAMHAKNGLZ-ZCFIWIBFSA-N 1 0 266.292 1.921 20 70 CDIDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000160633906 364108366 /nfs/dbraw/zinc/10/83/66/364108366.db2.gz XSWCZMMAHRQHQQ-NSHDSACASA-N 1 0 280.368 1.773 20 70 CDIDRO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159388575 364196162 /nfs/dbraw/zinc/19/61/62/364196162.db2.gz MZKYZUPAUQQUHC-VXGBXAGGSA-N 1 0 250.342 1.635 20 70 CDIDRO CC[N@@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000159392484 364198167 /nfs/dbraw/zinc/19/81/67/364198167.db2.gz BOWXIRGBQXQVDL-UHFFFAOYSA-N 1 0 282.409 1.622 20 70 CDIDRO Cc1cccc(C)c1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160211043 364319542 /nfs/dbraw/zinc/31/95/42/364319542.db2.gz OGAXJUGFYCNKOE-CQSZACIVSA-N 1 0 260.381 1.962 20 70 CDIDRO COc1cc(OC)c(OC)cc1/C=C/C(=O)NCCC[NH3+] ZINC000160054271 364300243 /nfs/dbraw/zinc/30/02/43/364300243.db2.gz DREWYAKRTOQTFJ-AATRIKPKSA-N 1 0 294.351 1.191 20 70 CDIDRO [NH3+]CCCNC(=O)Cc1ccc(F)c(Br)c1 ZINC000160113527 364307852 /nfs/dbraw/zinc/30/78/52/364307852.db2.gz DSKAOODBYWLWAL-UHFFFAOYSA-N 1 0 289.148 1.596 20 70 CDIDRO CCc1nn(C)c(CC)c1CNC(=O)NCC[N@@H+](C)CC ZINC000160134565 364310727 /nfs/dbraw/zinc/31/07/27/364310727.db2.gz KYYCAHRHKPLBCX-UHFFFAOYSA-N 1 0 295.431 1.296 20 70 CDIDRO [NH3+]CCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160153571 364312928 /nfs/dbraw/zinc/31/29/28/364312928.db2.gz AXSITEBTOZGANB-AWEZNQCLSA-N 1 0 289.379 1.004 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccccc2F)C1 ZINC000160645075 364388301 /nfs/dbraw/zinc/38/83/01/364388301.db2.gz XZNVZOKGUUCTIM-JTQLQIEISA-N 1 0 252.289 1.025 20 70 CDIDRO COC(C[N@@H+]1CCCN(c2ccccc2)CC1)OC ZINC000160648605 364389688 /nfs/dbraw/zinc/38/96/88/364389688.db2.gz PZKRLWHZLMDAHD-UHFFFAOYSA-N 1 0 264.369 1.818 20 70 CDIDRO CCc1ncc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cn1 ZINC000161145879 364455245 /nfs/dbraw/zinc/45/52/45/364455245.db2.gz JXLKMPVURYRZRM-LBPRGKRZSA-N 1 0 291.399 1.845 20 70 CDIDRO C[N@@H+]1CCC[C@H]1CCN1CCN(c2cccc(O)c2)CC1 ZINC000161318709 364477410 /nfs/dbraw/zinc/47/74/10/364477410.db2.gz GBGCWCGWDHNHCR-HNNXBMFYSA-N 1 0 289.423 1.999 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161037537 365254761 /nfs/dbraw/zinc/25/47/61/365254761.db2.gz JUVNFOCDDFBVST-LEWSCRJBSA-N 1 0 278.352 1.655 20 70 CDIDRO Cc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1F ZINC000161393666 373516369 /nfs/dbraw/zinc/51/63/69/373516369.db2.gz CYFAOGLTSWZJSF-UHFFFAOYSA-N 1 0 250.317 1.912 20 70 CDIDRO CCN(C)C(=O)C[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000218348449 375817929 /nfs/dbraw/zinc/81/79/29/375817929.db2.gz WZHOYEBDTNUTJH-UHFFFAOYSA-N 1 0 282.315 1.180 20 70 CDIDRO CCC[C@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC000161424071 377226697 /nfs/dbraw/zinc/22/66/97/377226697.db2.gz YMHSCFLYRVKCAN-CQSZACIVSA-N 1 0 297.443 1.480 20 70 CDIDRO CCC[C@@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC000161423929 377227015 /nfs/dbraw/zinc/22/70/15/377227015.db2.gz YMHSCFLYRVKCAN-AWEZNQCLSA-N 1 0 297.443 1.480 20 70 CDIDRO CN1CC[NH+](CCCCNC(=O)NC2(C)CCC2)CC1 ZINC000161384367 377614238 /nfs/dbraw/zinc/61/42/38/377614238.db2.gz BTTPJMXGNCERCI-UHFFFAOYSA-N 1 0 282.432 1.256 20 70 CDIDRO Cc1ccoc1C(=O)NCCCNC(=O)CC[NH2+]C(C)C ZINC000161446590 377634282 /nfs/dbraw/zinc/63/42/82/377634282.db2.gz ASGOWEAUBHGPFG-UHFFFAOYSA-N 1 0 295.383 1.212 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCO[C@H](C)CC(C)C)C1 ZINC000160771018 532957101 /nfs/dbraw/zinc/95/71/01/532957101.db2.gz UTTZZBTZNSLLQB-CHWSQXEVSA-N 1 0 256.390 1.648 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCO[C@H](C)CC(C)C)C1 ZINC000160770808 533030481 /nfs/dbraw/zinc/03/04/81/533030481.db2.gz UTTZZBTZNSLLQB-OLZOCXBDSA-N 1 0 256.390 1.648 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000160489938 533030901 /nfs/dbraw/zinc/03/09/01/533030901.db2.gz BCEOCPFPTNRHTJ-NSHDSACASA-N 1 0 268.307 1.718 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000159461141 390940003 /nfs/dbraw/zinc/94/00/03/390940003.db2.gz DJSPWBAUFKTHTE-RYUDHWBXSA-N 1 0 262.353 1.277 20 70 CDIDRO CCc1nnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc1CC ZINC000218136632 140165111 /nfs/dbraw/zinc/16/51/11/140165111.db2.gz QVWJTCRQAUNCSO-QWRGUYRKSA-N 1 0 263.389 1.418 20 70 CDIDRO COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000218168023 140165117 /nfs/dbraw/zinc/16/51/17/140165117.db2.gz KTGNARLDJWIMKA-NEPJUHHUSA-N 1 0 290.363 1.710 20 70 CDIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CCO1 ZINC000218654526 414518181 /nfs/dbraw/zinc/51/81/81/414518181.db2.gz YXFCBBMJNDQULV-NFAWXSAZSA-N 1 0 269.385 1.872 20 70 CDIDRO CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160126435 277066485 /nfs/dbraw/zinc/06/64/85/277066485.db2.gz HRDMMSCQVCCYQZ-ZDUSSCGKSA-N 1 0 261.325 1.208 20 70 CDIDRO CN(C(=O)[C@@H]1OCCc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159777350 281842601 /nfs/dbraw/zinc/84/26/01/281842601.db2.gz RVDMZENOUPSMRY-LSDHHAIUSA-N 1 0 274.364 1.496 20 70 CDIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCOC1 ZINC000161118659 292800547 /nfs/dbraw/zinc/80/05/47/292800547.db2.gz YEUFYMCCWKINAE-DGCLKSJQSA-N 1 0 263.337 1.972 20 70 CDIDRO COc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1OC ZINC000161396584 482876036 /nfs/dbraw/zinc/87/60/36/482876036.db2.gz SJBAVQSFIAHCCN-QWRGUYRKSA-N 1 0 278.352 1.704 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000161474098 534840698 /nfs/dbraw/zinc/84/06/98/534840698.db2.gz QEECTRUANZFWBA-WXRRBKDZSA-N 1 0 256.390 1.430 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000159801394 529028895 /nfs/dbraw/zinc/02/88/95/529028895.db2.gz RPVRXEIYZLARCW-KBPBESRZSA-N 1 0 283.416 1.681 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161006593 529222010 /nfs/dbraw/zinc/22/20/10/529222010.db2.gz HMFDHRFJURCZKS-LSDHHAIUSA-N 1 0 299.459 1.957 20 70 CDIDRO C[C@H](CNC(=O)CCc1ccccc1N)[NH+]1CCCC1 ZINC000161462020 342073038 /nfs/dbraw/zinc/07/30/38/342073038.db2.gz HOQVOJUFVFITJF-CYBMUJFWSA-N 1 0 275.396 1.802 20 70 CDIDRO CO[C@H]1CCN(C(=O)CC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000161065281 342073115 /nfs/dbraw/zinc/07/31/15/342073115.db2.gz CFNWIKVNTCZEFS-OLZOCXBDSA-N 1 0 286.441 1.484 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161123808 361876884 /nfs/dbraw/zinc/87/68/84/361876884.db2.gz AZULUNDWQFJERM-RISCZKNCSA-N 1 0 280.343 1.851 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(N2CCCC2)nc1 ZINC000159967230 361981016 /nfs/dbraw/zinc/98/10/16/361981016.db2.gz NWJXRKUNSWMSDA-UHFFFAOYSA-N 1 0 262.357 1.149 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503417 342365925 /nfs/dbraw/zinc/36/59/25/342365925.db2.gz ANNJWXMTEBZYIB-UHFFFAOYSA-N 1 0 273.340 1.798 20 70 CDIDRO CC[C@H]1CCC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000159366033 362315426 /nfs/dbraw/zinc/31/54/26/362315426.db2.gz HZLSUWWCQOWVLR-QWHCGFSZSA-N 1 0 268.401 1.840 20 70 CDIDRO O[C@H](COCc1ccccc1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159465912 362325163 /nfs/dbraw/zinc/32/51/63/362325163.db2.gz ULOPRYVGTXCZBY-SJORKVTESA-N 1 0 290.407 1.344 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159613607 362351475 /nfs/dbraw/zinc/35/14/75/362351475.db2.gz HAUCAKHKJJCMQS-RYUDHWBXSA-N 1 0 258.431 1.961 20 70 CDIDRO Cc1csc2nc(CN(C)[C@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992618 362385096 /nfs/dbraw/zinc/38/50/96/362385096.db2.gz DLCHAEIPLAZYAM-GFCCVEGCSA-N 1 0 292.408 1.234 20 70 CDIDRO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994945 362386738 /nfs/dbraw/zinc/38/67/38/362386738.db2.gz QNMCMHSKTIILGJ-PWSUYJOCSA-N 1 0 278.352 1.593 20 70 CDIDRO C[C@H](CNC(=O)CCC(C)(C)C)N1CC[NH+](C)CC1 ZINC000160153018 345611046 /nfs/dbraw/zinc/61/10/46/345611046.db2.gz UFJPBTHRTWKOLH-CYBMUJFWSA-N 1 0 269.433 1.565 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161364562 362799131 /nfs/dbraw/zinc/79/91/31/362799131.db2.gz CUXXNZAJNKEQHP-JOYOIKCWSA-N 1 0 265.357 1.338 20 70 CDIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1(C2CC2)CC1 ZINC000159634341 363090558 /nfs/dbraw/zinc/09/05/58/363090558.db2.gz CMPVIQVSYGQWNX-GFCCVEGCSA-N 1 0 277.412 1.960 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)NC[C@H](C)SC ZINC000159638272 363093702 /nfs/dbraw/zinc/09/37/02/363093702.db2.gz SZGPRXMPIQJQMA-NSHDSACASA-N 1 0 277.434 1.005 20 70 CDIDRO CCCCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159476654 282848913 /nfs/dbraw/zinc/84/89/13/282848913.db2.gz KOOVXOZKSJKLJM-RWMBFGLXSA-N 1 0 254.374 1.545 20 70 CDIDRO Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159841688 188444252 /nfs/dbraw/zinc/44/42/52/188444252.db2.gz PJMUSCRYYCAURI-KBPBESRZSA-N 1 0 262.353 1.287 20 70 CDIDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1Cc1ccccn1 ZINC000160096898 188455185 /nfs/dbraw/zinc/45/51/85/188455185.db2.gz WPLDFVJFAOVLSY-UHFFFAOYSA-N 1 0 286.379 1.627 20 70 CDIDRO CN(C(=O)c1cc2ccccc2[nH]1)[C@H](C[NH3+])C1CC1 ZINC000159842896 363371863 /nfs/dbraw/zinc/37/18/63/363371863.db2.gz HRBFZKRMXJSKLU-CQSZACIVSA-N 1 0 257.337 1.977 20 70 CDIDRO C[C@@H](C(=O)NCC[NH3+])c1ccc(Br)s1 ZINC000217242443 356412836 /nfs/dbraw/zinc/41/28/36/356412836.db2.gz SNOBZEXLHWGZGT-ZCFIWIBFSA-N 1 0 277.187 1.689 20 70 CDIDRO COC[C@H](NC(=O)NCC1CC[NH+](C)CC1)C1CC1 ZINC000159447602 237149838 /nfs/dbraw/zinc/14/98/38/237149838.db2.gz FYEIMEZVULQLQO-ZDUSSCGKSA-N 1 0 269.389 1.052 20 70 CDIDRO O=C(NCCc1cc(F)ccc1F)[C@@H]1CCCC[NH2+]1 ZINC000159667404 237155623 /nfs/dbraw/zinc/15/56/23/237155623.db2.gz ZLRGWRPIJQMWHF-ZDUSSCGKSA-N 1 0 268.307 1.766 20 70 CDIDRO [NH3+]CC(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124232 237170705 /nfs/dbraw/zinc/17/07/05/237170705.db2.gz XPHCJZMZEIVFGQ-AWEZNQCLSA-N 1 0 262.353 1.546 20 70 CDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CCC(C)(C)CC1 ZINC000160096438 363666377 /nfs/dbraw/zinc/66/63/77/363666377.db2.gz ZCZDFSMOMXEKJU-CQSZACIVSA-N 1 0 295.471 1.955 20 70 CDIDRO C[C@H](CNC(=O)CCC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000160104882 363671065 /nfs/dbraw/zinc/67/10/65/363671065.db2.gz RVWLWEWNCLAJHA-CQSZACIVSA-N 1 0 283.460 1.812 20 70 CDIDRO CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1)C(C)C ZINC000160955028 360102526 /nfs/dbraw/zinc/10/25/26/360102526.db2.gz MPPRMLYXTUDIBC-LLVKDONJSA-N 1 0 277.368 1.729 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161099555 360887784 /nfs/dbraw/zinc/88/77/84/360887784.db2.gz AFRNDDJDLKFGCP-HOTGVXAUSA-N 1 0 290.407 1.845 20 70 CDIDRO CCc1cccc2c(CCNC(=O)[C@@H](C)[NH3+])c[nH]c21 ZINC000159371543 364193701 /nfs/dbraw/zinc/19/37/01/364193701.db2.gz SETIMPJUVIQYDT-SNVBAGLBSA-N 1 0 259.353 1.736 20 70 CDIDRO C[C@H](CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000159364085 364192275 /nfs/dbraw/zinc/19/22/75/364192275.db2.gz QYQHAYDZFPRTBQ-LLVKDONJSA-N 1 0 278.327 1.466 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)NC(C)C)C(=O)OC ZINC000159682665 364250280 /nfs/dbraw/zinc/25/02/80/364250280.db2.gz BNHQTQUWGLQDAQ-UHFFFAOYSA-N 1 0 258.362 1.080 20 70 CDIDRO COC(=O)c1cc(C[N@H+](C)CCn2ccnc2)oc1C ZINC000159690708 364253002 /nfs/dbraw/zinc/25/30/02/364253002.db2.gz QBNPXYLQEWEDDB-UHFFFAOYSA-N 1 0 277.324 1.703 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)[NH+](C)C ZINC000159701170 364254336 /nfs/dbraw/zinc/25/43/36/364254336.db2.gz QDJATPXHRWLFBE-CQSZACIVSA-N 1 0 289.379 1.593 20 70 CDIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc3nc[nH]c31)C2 ZINC000159768518 364262718 /nfs/dbraw/zinc/26/27/18/364262718.db2.gz ZUUUWRBHFDBULH-NWDGAFQWSA-N 1 0 284.363 1.872 20 70 CDIDRO Cc1cnc([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000159822856 364270327 /nfs/dbraw/zinc/27/03/27/364270327.db2.gz IXJHYNKHWFHMPO-GXSJLCMTSA-N 1 0 267.398 1.765 20 70 CDIDRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC(C)(C)[NH3+] ZINC000160060280 364300082 /nfs/dbraw/zinc/30/00/82/364300082.db2.gz UYDLGXSPBCBKOZ-LLVKDONJSA-N 1 0 297.424 1.356 20 70 CDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(N)=O ZINC000160067618 364301658 /nfs/dbraw/zinc/30/16/58/364301658.db2.gz GEGRQVKOYRKDHU-CYBMUJFWSA-N 1 0 290.411 1.494 20 70 CDIDRO COc1ccc(C(=O)CCCC(=O)NCCC[NH3+])cc1 ZINC000160068594 364302570 /nfs/dbraw/zinc/30/25/70/364302570.db2.gz XJDFDCVSWDGNGD-UHFFFAOYSA-N 1 0 278.352 1.513 20 70 CDIDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCC[NH3+] ZINC000160114748 364306784 /nfs/dbraw/zinc/30/67/84/364306784.db2.gz VMXARSWRJICYCB-UHFFFAOYSA-N 1 0 280.416 1.554 20 70 CDIDRO O=C(Cc1ccccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160527553 364366771 /nfs/dbraw/zinc/36/67/71/364366771.db2.gz WPUVOHVMWDGBDD-CQSZACIVSA-N 1 0 294.370 1.331 20 70 CDIDRO COc1ccc([C@@H](C)CCNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000160555570 364372688 /nfs/dbraw/zinc/37/26/88/364372688.db2.gz ZRMNKCQNCLCQFG-SWLSCSKDSA-N 1 0 292.379 1.293 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000160717729 364400620 /nfs/dbraw/zinc/40/06/20/364400620.db2.gz WPTYVJWCRWUCEE-SNVBAGLBSA-N 1 0 266.366 1.255 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)C1 ZINC000160755931 364405699 /nfs/dbraw/zinc/40/56/99/364405699.db2.gz NVCSHSCXGVHMAE-JTQLQIEISA-N 1 0 286.326 1.258 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000160797716 364410348 /nfs/dbraw/zinc/41/03/48/364410348.db2.gz BEZHUTNOLNXISO-LBPRGKRZSA-N 1 0 270.336 1.306 20 70 CDIDRO CC(C)n1nccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161248974 364469595 /nfs/dbraw/zinc/46/95/95/364469595.db2.gz KPYFOFQWNNDRHE-UHFFFAOYSA-N 1 0 276.384 1.821 20 70 CDIDRO C[C@@]1(C(=O)NCc2ccc(Cl)nc2)CCC[NH2+]C1 ZINC000161330173 364478915 /nfs/dbraw/zinc/47/89/15/364478915.db2.gz AJIQTAQTGAUMQL-CYBMUJFWSA-N 1 0 267.760 1.741 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+][C@H](CCO)CSC)cn1 ZINC000160294599 364629471 /nfs/dbraw/zinc/62/94/71/364629471.db2.gz SFKKFWFFCVODSJ-ZYHUDNBSSA-N 1 0 257.403 1.668 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000218115818 373742072 /nfs/dbraw/zinc/74/20/72/373742072.db2.gz FMAXRTLXHPOXPW-AWEZNQCLSA-N 1 0 294.395 1.111 20 70 CDIDRO Cc1nc([C@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2F)no1 ZINC000160138082 377048770 /nfs/dbraw/zinc/04/87/70/377048770.db2.gz YYNUXVGQTQDLDK-RDDDGLTNSA-N 1 0 278.287 1.070 20 70 CDIDRO CC(C)c1ncc(CN2CCC[C@@H]2C(N)=O)s1 ZINC000160312706 377056686 /nfs/dbraw/zinc/05/66/86/377056686.db2.gz KTHMOMQBMZXELH-SNVBAGLBSA-N 1 0 253.371 1.716 20 70 CDIDRO CC[C@@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263987 377530943 /nfs/dbraw/zinc/53/09/43/377530943.db2.gz ZVGNILIVQRDXDI-NXEZZACHSA-N 1 0 255.280 1.393 20 70 CDIDRO CNC(=O)c1cccc(CCNC(=O)CC[NH2+]C(C)C)c1 ZINC000161417666 377605544 /nfs/dbraw/zinc/60/55/44/377605544.db2.gz CKZWNEBBPWFNAJ-UHFFFAOYSA-N 1 0 291.395 1.093 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)COc2ccccc2)C1 ZINC000160617201 533036458 /nfs/dbraw/zinc/03/64/58/533036458.db2.gz XOGWEMAAIYRXKV-OLZOCXBDSA-N 1 0 262.353 1.522 20 70 CDIDRO CCC(=O)N1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159503467 390940059 /nfs/dbraw/zinc/94/00/59/390940059.db2.gz SZQSZOHMQMKFNQ-MJBXVCDLSA-N 1 0 293.411 1.130 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000160128725 390977759 /nfs/dbraw/zinc/97/77/59/390977759.db2.gz NPOKZKXAFWCZPU-LLVKDONJSA-N 1 0 271.320 1.091 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cc(C)oc2C)[C@H](C[NH3+])C1 ZINC000161051556 277741651 /nfs/dbraw/zinc/74/16/51/277741651.db2.gz XMIDMSHSGCVZOR-RYUDHWBXSA-N 1 0 266.341 1.475 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161095657 279393562 /nfs/dbraw/zinc/39/35/62/279393562.db2.gz JFNJVOBFRSCYKY-RVBZMBCESA-N 1 0 250.317 1.913 20 70 CDIDRO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889076 280283194 /nfs/dbraw/zinc/28/31/94/280283194.db2.gz KCWHHGNGVUUHQD-VHSXEESVSA-N 1 0 283.338 1.359 20 70 CDIDRO Cn1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000160233326 292781334 /nfs/dbraw/zinc/78/13/34/292781334.db2.gz XGXVGIHXBFJIHG-GFCCVEGCSA-N 1 0 266.308 1.471 20 70 CDIDRO C[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)C[NH+]1CCCCC1 ZINC000160705244 292792556 /nfs/dbraw/zinc/79/25/56/292792556.db2.gz FCZWDTHHDHGREE-GOEBONIOSA-N 1 0 297.443 1.665 20 70 CDIDRO C[C@H](CNS(=O)(=O)c1cccc(N)c1)[NH+]1CCCC1 ZINC000160759265 292794204 /nfs/dbraw/zinc/79/42/04/292794204.db2.gz XQTOEOXUMODWQL-LLVKDONJSA-N 1 0 283.397 1.031 20 70 CDIDRO C[C@@H](CNC(=O)CNc1ccccc1)[NH+]1CCCC1 ZINC000161052000 292799222 /nfs/dbraw/zinc/79/92/22/292799222.db2.gz GVYUDMCKHZOSPT-ZDUSSCGKSA-N 1 0 261.369 1.699 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000161111651 293748967 /nfs/dbraw/zinc/74/89/67/293748967.db2.gz OUJUYCBLCKTVTG-CHWSQXEVSA-N 1 0 266.316 1.404 20 70 CDIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000159894995 302156922 /nfs/dbraw/zinc/15/69/22/302156922.db2.gz HZVFZOPTGKDEPC-FMKPAKJESA-N 1 0 288.391 1.688 20 70 CDIDRO CCCn1nccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000159986583 482775526 /nfs/dbraw/zinc/77/55/26/482775526.db2.gz NFWMURQVGXVJPH-OAHLLOKOSA-N 1 0 281.400 1.968 20 70 CDIDRO C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161190860 482869963 /nfs/dbraw/zinc/86/99/63/482869963.db2.gz WRFCGBPQMQAATO-SRVKXCTJSA-N 1 0 263.341 1.235 20 70 CDIDRO O=C(N1C[C@@H]2CCC[C@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000159807402 483060385 /nfs/dbraw/zinc/06/03/85/483060385.db2.gz RFSKNKBUSUOXIK-NHCYSSNCSA-N 1 0 276.302 1.787 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000161075295 519589917 /nfs/dbraw/zinc/58/99/17/519589917.db2.gz MAVPFFZWWCMBKM-CQSZACIVSA-N 1 0 297.443 1.387 20 70 CDIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C1(C)CC1 ZINC000161016659 525518552 /nfs/dbraw/zinc/51/85/52/525518552.db2.gz LCGPSPKCCVASLP-LLVKDONJSA-N 1 0 289.379 1.180 20 70 CDIDRO c1cncc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161429734 526545384 /nfs/dbraw/zinc/54/53/84/526545384.db2.gz DWWPTAMMILBZOS-AWEZNQCLSA-N 1 0 283.379 1.999 20 70 CDIDRO CC(C)(C(N)=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160381781 527543264 /nfs/dbraw/zinc/54/32/64/527543264.db2.gz VMBMLBCOWSVUDU-ZDUSSCGKSA-N 1 0 289.379 1.530 20 70 CDIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(CCOC)CC2)C1 ZINC000161035053 527809189 /nfs/dbraw/zinc/80/91/89/527809189.db2.gz CZGAHKKAQSTITK-AWEZNQCLSA-N 1 0 297.443 1.786 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(CCOC)CC1 ZINC000161469519 529341547 /nfs/dbraw/zinc/34/15/47/529341547.db2.gz SNFKQCJPZSATBB-GFCCVEGCSA-N 1 0 256.390 1.650 20 70 CDIDRO CCC(=O)N[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159939824 361956244 /nfs/dbraw/zinc/95/62/44/361956244.db2.gz YQMLZNMQPBENPM-CYBMUJFWSA-N 1 0 254.374 1.404 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160914846 362209319 /nfs/dbraw/zinc/20/93/19/362209319.db2.gz VMATXPVSVFFRNA-WOPDTQHZSA-N 1 0 273.446 1.910 20 70 CDIDRO C[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CC[C@@H]1O ZINC000159404091 362318928 /nfs/dbraw/zinc/31/89/28/362318928.db2.gz SSNAGXZIVZAYIT-MFKMUULPSA-N 1 0 266.316 1.467 20 70 CDIDRO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995534 362386808 /nfs/dbraw/zinc/38/68/08/362386808.db2.gz ZIJMKFFAVMQYPJ-JQWIXIFHSA-N 1 0 278.352 1.593 20 70 CDIDRO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995356 362386912 /nfs/dbraw/zinc/38/69/12/362386912.db2.gz ZIJMKFFAVMQYPJ-ZYHUDNBSSA-N 1 0 278.352 1.593 20 70 CDIDRO CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C[NH3+])C1CC1 ZINC000160138322 282344750 /nfs/dbraw/zinc/34/47/50/282344750.db2.gz YODPNFPJIUXOEF-BPUTZDHNSA-N 1 0 293.455 1.837 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@@H]2OCCc3ccccc32)CCOC1 ZINC000160267467 362406849 /nfs/dbraw/zinc/40/68/49/362406849.db2.gz BKOTYSPQSIWCEV-JKSUJKDBSA-N 1 0 277.364 1.696 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSC[C@@H]1CCCCO1 ZINC000161320057 362768976 /nfs/dbraw/zinc/76/89/76/362768976.db2.gz VLSGDCVKIISTLB-STQMWFEESA-N 1 0 286.441 1.499 20 70 CDIDRO CC1(O)CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000161225153 362773998 /nfs/dbraw/zinc/77/39/98/362773998.db2.gz FLXVMAYEYOKGSU-UHFFFAOYSA-N 1 0 280.412 1.840 20 70 CDIDRO COCc1cc(C(=O)NCc2ccc(C[NH3+])cc2)no1 ZINC000159576867 362930608 /nfs/dbraw/zinc/93/06/08/362930608.db2.gz YJDLUSNLEIDFAC-UHFFFAOYSA-N 1 0 275.308 1.210 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)SC)CC1 ZINC000159578097 362934219 /nfs/dbraw/zinc/93/42/19/362934219.db2.gz POIXKQAPUHDVOO-SNVBAGLBSA-N 1 0 259.419 1.521 20 70 CDIDRO O=C(NC[C@H](O)c1ccsc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161498756 363098681 /nfs/dbraw/zinc/09/86/81/363098681.db2.gz NQAWPRCQARVLOQ-DEQVHRJGSA-N 1 0 294.420 1.818 20 70 CDIDRO C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000160047180 188452434 /nfs/dbraw/zinc/45/24/34/188452434.db2.gz LHSKUJMHGVVGDO-SNVBAGLBSA-N 1 0 252.333 1.858 20 70 CDIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)C[NH+](C)C ZINC000160647461 188484545 /nfs/dbraw/zinc/48/45/45/188484545.db2.gz PZVHPIGYGUMEIB-YPMHNXCESA-N 1 0 250.342 1.176 20 70 CDIDRO Cc1cc(NC(=O)CC[NH3+])ccc1OC1CCOCC1 ZINC000160938866 188499247 /nfs/dbraw/zinc/49/92/47/188499247.db2.gz MVMLWLWXYDZTBA-UHFFFAOYSA-N 1 0 278.352 1.840 20 70 CDIDRO COc1cc(OC)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000159772274 363295286 /nfs/dbraw/zinc/29/52/86/363295286.db2.gz JYWBNHRLCXZHQF-SNVBAGLBSA-N 1 0 278.356 1.390 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(O)c(F)c2)C1 ZINC000159454813 358574763 /nfs/dbraw/zinc/57/47/63/358574763.db2.gz KAZAXEGAWLKFKF-LBPRGKRZSA-N 1 0 295.358 1.672 20 70 CDIDRO O=C(CCc1ccoc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160381036 237171888 /nfs/dbraw/zinc/17/18/88/237171888.db2.gz CQYSRSXNVGDFAL-CQSZACIVSA-N 1 0 280.368 1.175 20 70 CDIDRO CC(C)CN(CC(C)C)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160057250 360453153 /nfs/dbraw/zinc/45/31/53/360453153.db2.gz DBUFENKFJBRCHX-OAHLLOKOSA-N 1 0 283.460 1.796 20 70 CDIDRO Cc1ccc(CNC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160127173 360777829 /nfs/dbraw/zinc/77/78/29/360777829.db2.gz VIUXMEVYUQSSTO-OAHLLOKOSA-N 1 0 275.396 1.280 20 70 CDIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000160831000 361256091 /nfs/dbraw/zinc/25/60/91/361256091.db2.gz TUVZNLOISCRUEA-FZMZJTMJSA-N 1 0 282.359 1.691 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000159472456 361709964 /nfs/dbraw/zinc/70/99/64/361709964.db2.gz MUCPHKAMFJXXJD-CHWSQXEVSA-N 1 0 288.457 1.875 20 70 CDIDRO Cc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160335852 364336605 /nfs/dbraw/zinc/33/66/05/364336605.db2.gz FZTAVBLOKHUKAG-CQSZACIVSA-N 1 0 276.380 1.572 20 70 CDIDRO CCc1noc2ncc(C(=O)NCC(C)(C)[NH3+])cc12 ZINC000159938516 364283771 /nfs/dbraw/zinc/28/37/71/364283771.db2.gz MWUUACPSCPLVPE-UHFFFAOYSA-N 1 0 262.313 1.252 20 70 CDIDRO Cc1nn(C)c(Cl)c1CSCCN1CCOCC1 ZINC000159977071 364289399 /nfs/dbraw/zinc/28/93/99/364289399.db2.gz DBFIDOJPGCOQKJ-UHFFFAOYSA-N 1 0 289.832 1.947 20 70 CDIDRO Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)[NH3+] ZINC000160115983 364307338 /nfs/dbraw/zinc/30/73/38/364307338.db2.gz XFRWTWOPCDXCAW-UHFFFAOYSA-N 1 0 291.380 1.376 20 70 CDIDRO C[C@@H](CNC(=O)C(C)(C)C[NH3+])Oc1ccccc1F ZINC000161160594 364456327 /nfs/dbraw/zinc/45/63/27/364456327.db2.gz YZFUOGSEXLSWHO-JTQLQIEISA-N 1 0 268.332 1.694 20 70 CDIDRO O=C1NCCN1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160632905 296374208 /nfs/dbraw/zinc/37/42/08/296374208.db2.gz VFUFHDCDLKPAGH-UHFFFAOYSA-N 1 0 294.443 1.352 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000159497489 390975534 /nfs/dbraw/zinc/97/55/34/390975534.db2.gz IUPASUDRGGTMLE-STQMWFEESA-N 1 0 276.380 1.667 20 70 CDIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000161151335 139911519 /nfs/dbraw/zinc/91/15/19/139911519.db2.gz ABZGRVMADWABPE-YPMHNXCESA-N 1 0 280.343 1.851 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161136786 285710316 /nfs/dbraw/zinc/71/03/16/285710316.db2.gz WRZRYDSVKFBBEH-QWHCGFSZSA-N 1 0 282.771 1.918 20 70 CDIDRO COc1cc(OC)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000159801178 286242363 /nfs/dbraw/zinc/24/23/63/286242363.db2.gz GKOVTSZRSHLTDS-GFCCVEGCSA-N 1 0 292.383 1.462 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000160644142 279875649 /nfs/dbraw/zinc/87/56/49/279875649.db2.gz IXMRBPHYPAPRHZ-CHWSQXEVSA-N 1 0 262.353 1.583 20 70 CDIDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000216997470 280088002 /nfs/dbraw/zinc/08/80/02/280088002.db2.gz PDWZTRHADMKBHK-RNZFLTOJSA-N 1 0 276.336 1.528 20 70 CDIDRO COc1ccc(/C=C\C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000216997615 280088369 /nfs/dbraw/zinc/08/83/69/280088369.db2.gz MGUQIIXOIOLTPI-DEBLGDTFSA-N 1 0 262.353 1.808 20 70 CDIDRO CCOC(=O)N1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000160072180 292776992 /nfs/dbraw/zinc/77/69/92/292776992.db2.gz SZMLQKMXWQLVPB-UHFFFAOYSA-N 1 0 284.400 1.750 20 70 CDIDRO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000160970511 292797253 /nfs/dbraw/zinc/79/72/53/292797253.db2.gz DLORRIRAFPFDTJ-CABCVRRESA-N 1 0 278.396 1.666 20 70 CDIDRO [NH3+]CCCNC(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000160124720 303379291 /nfs/dbraw/zinc/37/92/91/303379291.db2.gz RVONVHRKLHGBFH-CQSZACIVSA-N 1 0 293.436 1.242 20 70 CDIDRO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1)N(C)C1CC1 ZINC000218645790 329483881 /nfs/dbraw/zinc/48/38/81/329483881.db2.gz FBHNXMUFLOAGDZ-WMLDXEAASA-N 1 0 292.423 1.636 20 70 CDIDRO CC(C)(CO)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000160163769 482787432 /nfs/dbraw/zinc/78/74/32/482787432.db2.gz ZJFFTRGRMJFCAH-CYBMUJFWSA-N 1 0 285.359 1.311 20 70 CDIDRO CC(C)OCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000160214573 482788323 /nfs/dbraw/zinc/78/83/23/482788323.db2.gz UKVWUEDQHGBABV-HNNXBMFYSA-N 1 0 267.369 1.579 20 70 CDIDRO COc1ccc(OCC[NH2+]C[C@]2(OC)CCOC2)cc1 ZINC000160268585 482792650 /nfs/dbraw/zinc/79/26/50/482792650.db2.gz VOWKJUTVUWHHHG-OAHLLOKOSA-N 1 0 281.352 1.469 20 70 CDIDRO COc1ccc(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160955640 482845061 /nfs/dbraw/zinc/84/50/61/482845061.db2.gz AZQPMTVUCMBIHB-QWHCGFSZSA-N 1 0 292.379 1.850 20 70 CDIDRO Cc1sc(=O)n(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161011489 482853334 /nfs/dbraw/zinc/85/33/34/482853334.db2.gz ZTNGACDBNKYQDN-RYUDHWBXSA-N 1 0 297.424 1.303 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n(C)n1 ZINC000161031327 482854406 /nfs/dbraw/zinc/85/44/06/482854406.db2.gz DUAIQOCHLLUCCK-WDEREUQCSA-N 1 0 264.373 1.543 20 70 CDIDRO CC(C)CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160601722 519635642 /nfs/dbraw/zinc/63/56/42/519635642.db2.gz PNCMYWLWMCQZIY-UHFFFAOYSA-N 1 0 256.390 1.243 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160351516 519645489 /nfs/dbraw/zinc/64/54/89/519645489.db2.gz WEXQRJGMJHSIDP-HUUCEWRRSA-N 1 0 297.443 1.926 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000161032805 519645990 /nfs/dbraw/zinc/64/59/90/519645990.db2.gz TUNIIYFQPMNSJO-KDQUWOQTSA-N 1 0 280.412 1.981 20 70 CDIDRO [NH3+]C1(CNC(=O)c2cccc(-n3cncn3)c2)CCCCC1 ZINC000159725633 534547638 /nfs/dbraw/zinc/54/76/38/534547638.db2.gz RCMZWXSZHDZSIS-UHFFFAOYSA-N 1 0 299.378 1.659 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000159667691 526741026 /nfs/dbraw/zinc/74/10/26/526741026.db2.gz KGOZKCSDEBZDTM-XEZPLFJOSA-N 1 0 282.428 1.944 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCO ZINC000161038009 527965476 /nfs/dbraw/zinc/96/54/76/527965476.db2.gz BOLAIZPMNGFRPU-CYBMUJFWSA-N 1 0 271.405 1.179 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC000160460713 528946921 /nfs/dbraw/zinc/94/69/21/528946921.db2.gz UFKDRHHORJSVJC-UHFFFAOYSA-N 1 0 287.367 1.515 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1noc2c1CCCC2 ZINC000160469624 528948551 /nfs/dbraw/zinc/94/85/51/528948551.db2.gz PSWNHWYKFCSZGA-UHFFFAOYSA-N 1 0 265.357 1.801 20 70 CDIDRO CC1CCC(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159592176 361744802 /nfs/dbraw/zinc/74/48/02/361744802.db2.gz JBHWXPRYBXDXBW-JYVUQVBGSA-N 1 0 282.428 1.774 20 70 CDIDRO CC1CCC(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159592030 361745066 /nfs/dbraw/zinc/74/50/66/361745066.db2.gz JBHWXPRYBXDXBW-SHWKFHJASA-N 1 0 282.428 1.774 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159648281 361761337 /nfs/dbraw/zinc/76/13/37/361761337.db2.gz XKDXDQCWXBTQIS-HOCLYGCPSA-N 1 0 276.380 1.744 20 70 CDIDRO COc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159993063 342072957 /nfs/dbraw/zinc/07/29/57/342072957.db2.gz DRJGRJXKAXCTBZ-JQWIXIFHSA-N 1 0 278.352 1.736 20 70 CDIDRO C[C@H](O)C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159808117 361870450 /nfs/dbraw/zinc/87/04/50/361870450.db2.gz OESHNXQBYJIKEY-LBPRGKRZSA-N 1 0 270.417 1.584 20 70 CDIDRO CCNC(=O)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160179376 362044501 /nfs/dbraw/zinc/04/45/01/362044501.db2.gz FLTRKWUBBKLDMA-XJKSGUPXSA-N 1 0 289.423 1.866 20 70 CDIDRO [NH3+]CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000217139074 342439396 /nfs/dbraw/zinc/43/93/96/342439396.db2.gz FAHHWSVUNPJRRE-UHFFFAOYSA-N 1 0 265.332 1.435 20 70 CDIDRO COCC[NH2+]CCNc1ccncc1Br ZINC000159926512 362380083 /nfs/dbraw/zinc/38/00/83/362380083.db2.gz SRRMLQCPEQJGMJ-UHFFFAOYSA-N 1 0 274.162 1.492 20 70 CDIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000160711895 346219794 /nfs/dbraw/zinc/21/97/94/346219794.db2.gz QBRQJRHKWXMZRP-ZDUSSCGKSA-N 1 0 253.390 1.911 20 70 CDIDRO C[C@]1(C(=O)Nc2nncn2Cc2ccccc2)CC[NH2+]C1 ZINC000159631876 363089267 /nfs/dbraw/zinc/08/92/67/363089267.db2.gz BTGCFYPGXFXJDQ-HNNXBMFYSA-N 1 0 285.351 1.265 20 70 CDIDRO CC(C)[NH+](CCNC(=O)N1CCC[C@](C)(O)C1)C(C)C ZINC000159719450 363215112 /nfs/dbraw/zinc/21/51/12/363215112.db2.gz ZHMHVEDZMFNHSG-HNNXBMFYSA-N 1 0 285.432 1.662 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ncccc1F ZINC000159717431 363215143 /nfs/dbraw/zinc/21/51/43/363215143.db2.gz CGTZYFPRUYCDBM-SNVBAGLBSA-N 1 0 266.320 1.114 20 70 CDIDRO C[C@@]1(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC[NH2+]C1 ZINC000161046551 188505616 /nfs/dbraw/zinc/50/56/16/188505616.db2.gz MUFYMKMFBCKCSR-MRXNPFEDSA-N 1 0 285.347 1.144 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1c(C)cccc1C ZINC000161370453 188524055 /nfs/dbraw/zinc/52/40/55/188524055.db2.gz AACNUHIKVSSZOC-CQSZACIVSA-N 1 0 276.380 1.893 20 70 CDIDRO CN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000159782765 363312580 /nfs/dbraw/zinc/31/25/80/363312580.db2.gz UEWDCIUSEWOTMG-LPZVBRGNSA-N 1 0 288.347 1.624 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000160513919 358720356 /nfs/dbraw/zinc/72/03/56/358720356.db2.gz LAMLIBWDJOPMPU-HNGCFSAESA-N 1 0 264.369 1.202 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000161169381 358789712 /nfs/dbraw/zinc/78/97/12/358789712.db2.gz ZYELEWUBVJPSET-WFASDCNBSA-N 1 0 280.343 1.580 20 70 CDIDRO CC(C)CSCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000160760636 361215009 /nfs/dbraw/zinc/21/50/09/361215009.db2.gz MNCLFQBWUQPUAB-LBPRGKRZSA-N 1 0 258.431 1.976 20 70 CDIDRO COCc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161078134 482858975 /nfs/dbraw/zinc/85/89/75/482858975.db2.gz ADRXSINRZSQSTK-QWHCGFSZSA-N 1 0 262.353 1.833 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C1 ZINC000160220316 363768511 /nfs/dbraw/zinc/76/85/11/363768511.db2.gz ZXLRDANNCXPUKW-ORAHPGNNSA-N 1 0 290.754 1.561 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000159468341 361708600 /nfs/dbraw/zinc/70/86/00/361708600.db2.gz HUNVIFNUPGSEDL-STQMWFEESA-N 1 0 264.369 1.046 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000159526109 361730573 /nfs/dbraw/zinc/73/05/73/361730573.db2.gz MIXBIZLCSSYASQ-QWRGUYRKSA-N 1 0 270.398 1.108 20 70 CDIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000160327619 363816907 /nfs/dbraw/zinc/81/69/07/363816907.db2.gz XYUJTFOUSUJEDK-AWEZNQCLSA-N 1 0 255.321 1.685 20 70 CDIDRO CS[C@H](C)CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000160426871 363859766 /nfs/dbraw/zinc/85/97/66/363859766.db2.gz QICGFOSKLDTBPH-LLVKDONJSA-N 1 0 256.415 1.682 20 70 CDIDRO CCCCC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159454477 364209641 /nfs/dbraw/zinc/20/96/41/364209641.db2.gz GHBXKPYMJZOSDI-UHFFFAOYSA-N 1 0 277.368 1.323 20 70 CDIDRO CCC(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160267071 364328062 /nfs/dbraw/zinc/32/80/62/364328062.db2.gz LWEHGPGPLJNXQV-LLVKDONJSA-N 1 0 261.325 1.208 20 70 CDIDRO CC[C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)[NH+](C)C ZINC000160332150 364335542 /nfs/dbraw/zinc/33/55/42/364335542.db2.gz OLPZTMULTHUEHH-QWHCGFSZSA-N 1 0 268.332 1.316 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000160330839 364336803 /nfs/dbraw/zinc/33/68/03/364336803.db2.gz APHUGUILPPXOKC-OAHLLOKOSA-N 1 0 299.378 1.481 20 70 CDIDRO Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160152985 364312560 /nfs/dbraw/zinc/31/25/60/364312560.db2.gz WNOGKHFVMQXOLR-SECBINFHSA-N 1 0 271.748 1.519 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000160530650 364367731 /nfs/dbraw/zinc/36/77/31/364367731.db2.gz HUVJHUXWOKCCQP-SNVBAGLBSA-N 1 0 287.319 1.069 20 70 CDIDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)O ZINC000160584001 364377319 /nfs/dbraw/zinc/37/73/19/364377319.db2.gz UVXVIAPNYJQNFD-SECBINFHSA-N 1 0 285.775 1.813 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2cccc(C)c2C)C1 ZINC000160792659 364409044 /nfs/dbraw/zinc/40/90/44/364409044.db2.gz IRHKCJFZIAHRBK-AWEZNQCLSA-N 1 0 276.380 1.893 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCC[NH2+]C1 ZINC000160418476 364349734 /nfs/dbraw/zinc/34/97/34/364349734.db2.gz JIKDDSPKSGXUMU-LLVKDONJSA-N 1 0 273.336 1.509 20 70 CDIDRO C[NH+]1CCC(NC(=O)c2ccnc(Cl)c2F)CC1 ZINC000161076451 364445420 /nfs/dbraw/zinc/44/54/20/364445420.db2.gz VNRRKEJASWGVCF-UHFFFAOYSA-N 1 0 271.723 1.698 20 70 CDIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(=O)n1C ZINC000161174714 364459721 /nfs/dbraw/zinc/45/97/21/364459721.db2.gz IPEJADNWUTYNAM-LBPRGKRZSA-N 1 0 279.384 1.091 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000161203642 364462207 /nfs/dbraw/zinc/46/22/07/364462207.db2.gz AQWQYLDMGBHBMH-UYSNPLJNSA-N 1 0 294.370 1.896 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)NCc1ccccc1CO ZINC000161118857 367130370 /nfs/dbraw/zinc/13/03/70/367130370.db2.gz LHVXTOBVNYUIPO-UHFFFAOYSA-N 1 0 293.411 1.710 20 70 CDIDRO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217773079 367258509 /nfs/dbraw/zinc/25/85/09/367258509.db2.gz YPAUFEZWKFZQEP-DAXOMENPSA-N 1 0 290.407 1.785 20 70 CDIDRO CN(CC(=O)Nc1cc(F)ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000160085092 139909867 /nfs/dbraw/zinc/90/98/67/139909867.db2.gz KHUOEMSNEHUIEI-ZDUSSCGKSA-N 1 0 283.322 1.572 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)Cc1ccccc1 ZINC000161210846 377481855 /nfs/dbraw/zinc/48/18/55/377481855.db2.gz QUWSKSBMSUOOAK-CQSZACIVSA-N 1 0 278.396 1.471 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cncn3)cc2C)C1 ZINC000160810468 533038028 /nfs/dbraw/zinc/03/80/28/533038028.db2.gz OSKSEKJLXDQTPE-LBPRGKRZSA-N 1 0 285.351 1.010 20 70 CDIDRO CCOCCC[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000159639137 390940449 /nfs/dbraw/zinc/94/04/49/390940449.db2.gz IDDVXKWPMOSBNC-XHSDSOJGSA-N 1 0 284.444 1.987 20 70 CDIDRO CN(C(=O)Cc1ccc(F)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000159775886 139905876 /nfs/dbraw/zinc/90/58/76/139905876.db2.gz URRCGSOARKFCIQ-CYBMUJFWSA-N 1 0 268.307 1.703 20 70 CDIDRO O[C@@H](CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000217369981 140163958 /nfs/dbraw/zinc/16/39/58/140163958.db2.gz IWPKDOIXNCYCBQ-CVEARBPZSA-N 1 0 260.381 1.890 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000161111467 285708796 /nfs/dbraw/zinc/70/87/96/285708796.db2.gz OUJUYCBLCKTVTG-QWHCGFSZSA-N 1 0 266.316 1.404 20 70 CDIDRO COc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160047820 147707910 /nfs/dbraw/zinc/70/79/10/147707910.db2.gz SBWJTLFAZZQLNF-CQSZACIVSA-N 1 0 277.368 1.303 20 70 CDIDRO CC[C@@H](C)OCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159373287 292757436 /nfs/dbraw/zinc/75/74/36/292757436.db2.gz DLXYJSSYYACXJY-CHWSQXEVSA-N 1 0 256.390 1.650 20 70 CDIDRO CC[NH+]1CCC(NC(=O)C2(CCOC)CCC2)CC1 ZINC000159586631 292762554 /nfs/dbraw/zinc/76/25/54/292762554.db2.gz LQBBXPAYMBFUCK-UHFFFAOYSA-N 1 0 268.401 1.794 20 70 CDIDRO COC(=O)NCc1ccc(NC(=O)CC[NH2+]C(C)C)cc1 ZINC000160956878 292797334 /nfs/dbraw/zinc/79/73/34/292797334.db2.gz VPVALKPQEUWXAG-UHFFFAOYSA-N 1 0 293.367 1.869 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000160811845 482828345 /nfs/dbraw/zinc/82/83/45/482828345.db2.gz UNKBWXFIEYGZFM-KGLIPLIRSA-N 1 0 295.427 1.459 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000160878547 482835515 /nfs/dbraw/zinc/83/55/15/482835515.db2.gz KIJIDYQSFBYVCP-VXGBXAGGSA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2cccs2)C1 ZINC000160918299 482840986 /nfs/dbraw/zinc/84/09/86/482840986.db2.gz PHUXRTOYWLFXBP-MNOVXSKESA-N 1 0 295.408 1.254 20 70 CDIDRO COc1ccccc1OCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160956431 482845142 /nfs/dbraw/zinc/84/51/42/482845142.db2.gz HLLWRHTVSLFCJY-CHWSQXEVSA-N 1 0 292.379 1.850 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000161320825 482873677 /nfs/dbraw/zinc/87/36/77/482873677.db2.gz IBMGWABGYJRJIA-MGPQQGTHSA-N 1 0 293.411 1.021 20 70 CDIDRO CC1(O)CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000161191940 520772790 /nfs/dbraw/zinc/77/27/90/520772790.db2.gz FIFALALBHPOXAE-UHFFFAOYSA-N 1 0 290.407 1.582 20 70 CDIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000161428692 523221701 /nfs/dbraw/zinc/22/17/01/523221701.db2.gz JGJFKTXIRYRSCM-VXGBXAGGSA-N 1 0 252.358 1.694 20 70 CDIDRO CN(CC[NH2+]Cc1cncn1C)C(=O)OC(C)(C)C ZINC000218182869 536386911 /nfs/dbraw/zinc/38/69/11/536386911.db2.gz JENVMBTZQHATFN-UHFFFAOYSA-N 1 0 268.361 1.377 20 70 CDIDRO c1cncc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161429841 526545666 /nfs/dbraw/zinc/54/56/66/526545666.db2.gz DWWPTAMMILBZOS-CQSZACIVSA-N 1 0 283.379 1.999 20 70 CDIDRO CCCC(O)(CCC)CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160563692 528008183 /nfs/dbraw/zinc/00/81/83/528008183.db2.gz AHBQFDAMAYNHQD-CYBMUJFWSA-N 1 0 270.417 1.918 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)N3CCC[C@@H]3C[NH3+])cc21 ZINC000160342004 528513724 /nfs/dbraw/zinc/51/37/24/528513724.db2.gz ZQLDQTVXRZNMDM-LLVKDONJSA-N 1 0 288.351 1.910 20 70 CDIDRO COc1cc(C[NH2+][C@H](C)C(=O)NC(C)C)cc2c1OCO2 ZINC000159914224 536811420 /nfs/dbraw/zinc/81/14/20/536811420.db2.gz OULIJFWDAFTDDN-SNVBAGLBSA-N 1 0 294.351 1.427 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@H](O)COc2cccc(C)c2)CCOC1 ZINC000160314441 342072987 /nfs/dbraw/zinc/07/29/87/342072987.db2.gz TWQXSAGIJSDMRE-HOCLYGCPSA-N 1 0 295.379 1.130 20 70 CDIDRO Cn1cc(C[C@H]2CC[N@H+](CCn3ccnc3)C2)cn1 ZINC000159866092 361887954 /nfs/dbraw/zinc/88/79/54/361887954.db2.gz FBUPPJPFZICZAS-CYBMUJFWSA-N 1 0 259.357 1.181 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000159943281 361957878 /nfs/dbraw/zinc/95/78/78/361957878.db2.gz KKVOANMFOCDODB-UHFFFAOYSA-N 1 0 264.373 1.262 20 70 CDIDRO COC[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000160175398 539115598 /nfs/dbraw/zinc/11/55/98/539115598.db2.gz QWMLDMHKMBELSD-WCQYABFASA-N 1 0 254.374 1.545 20 70 CDIDRO CS(=O)(=O)CCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161450115 539117793 /nfs/dbraw/zinc/11/77/93/539117793.db2.gz FOCZPTQFXYYZAR-LBPRGKRZSA-N 1 0 275.414 1.312 20 70 CDIDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000160134008 362035553 /nfs/dbraw/zinc/03/55/53/362035553.db2.gz XXYUZWXWOOBQQR-JSGCOSHPSA-N 1 0 291.395 1.802 20 70 CDIDRO C[C@H]1C[N@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1O ZINC000159417378 362319807 /nfs/dbraw/zinc/31/98/07/362319807.db2.gz ZVKWELHDRKEBHI-WFASDCNBSA-N 1 0 261.365 1.867 20 70 CDIDRO C[NH2+]CCC1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC000159573880 362345065 /nfs/dbraw/zinc/34/50/65/362345065.db2.gz AVFGBUGUYDTUGV-UHFFFAOYSA-N 1 0 265.357 1.753 20 70 CDIDRO COc1cc(C[NH2+][C@H](C)C(=O)N2CCCC2)cc(OC)c1 ZINC000159710694 362360562 /nfs/dbraw/zinc/36/05/62/362360562.db2.gz TUJZUKMKARMPPQ-GFCCVEGCSA-N 1 0 292.379 1.804 20 70 CDIDRO CN(C(=O)Cc1c(F)cccc1F)[C@H](C[NH3+])C1CC1 ZINC000159829264 362373346 /nfs/dbraw/zinc/37/33/46/362373346.db2.gz XLSJHJBIJZHXKB-CYBMUJFWSA-N 1 0 268.307 1.703 20 70 CDIDRO COc1cc(CN2CCC[C@H]2C[NH3+])cc2c1OCO2 ZINC000159992637 362384791 /nfs/dbraw/zinc/38/47/91/362384791.db2.gz QYMWFATWMXYFCQ-NSHDSACASA-N 1 0 264.325 1.347 20 70 CDIDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159994872 362385747 /nfs/dbraw/zinc/38/57/47/362385747.db2.gz QNMCMHSKTIILGJ-CMPLNLGQSA-N 1 0 278.352 1.593 20 70 CDIDRO COc1ccc(OCCN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160028355 362388055 /nfs/dbraw/zinc/38/80/55/362388055.db2.gz DKVJXZNJDWUKAS-OAHLLOKOSA-N 1 0 264.369 1.743 20 70 CDIDRO COc1ccc(OCCN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160028226 362388303 /nfs/dbraw/zinc/38/83/03/362388303.db2.gz DKVJXZNJDWUKAS-HNNXBMFYSA-N 1 0 264.369 1.743 20 70 CDIDRO CN(CC(=O)NCc1ccc(F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160090802 362394276 /nfs/dbraw/zinc/39/42/76/362394276.db2.gz YTRFGVLZFYHPAU-AWEZNQCLSA-N 1 0 279.359 1.111 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(Cn2cccn2)CC1 ZINC000161289324 362407193 /nfs/dbraw/zinc/40/71/93/362407193.db2.gz XUOHCNZJDFJRNR-UHFFFAOYSA-N 1 0 292.427 1.887 20 70 CDIDRO COc1cccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160122379 362396929 /nfs/dbraw/zinc/39/69/29/362396929.db2.gz HUSLDSZTQQHITI-CQSZACIVSA-N 1 0 277.368 1.303 20 70 CDIDRO CCOc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160151169 362398841 /nfs/dbraw/zinc/39/88/41/362398841.db2.gz LRHXSOPXOKNNJA-OAHLLOKOSA-N 1 0 291.395 1.693 20 70 CDIDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CCC1 ZINC000160287907 362408261 /nfs/dbraw/zinc/40/82/61/362408261.db2.gz VMUPPCMTNMVGQK-CQSZACIVSA-N 1 0 259.353 1.807 20 70 CDIDRO COc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)ccc1F ZINC000160319475 362412135 /nfs/dbraw/zinc/41/21/35/362412135.db2.gz LYJNQNLJDBBZJP-SNVBAGLBSA-N 1 0 284.356 1.868 20 70 CDIDRO CCOC(=O)N(C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000161155195 362702477 /nfs/dbraw/zinc/70/24/77/362702477.db2.gz ZNPUQABTVGZEID-ZDUSSCGKSA-N 1 0 299.415 1.406 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSCCC(C)C ZINC000161315302 362769821 /nfs/dbraw/zinc/76/98/21/362769821.db2.gz IAUJDWXNRTVTLP-GFCCVEGCSA-N 1 0 258.431 1.976 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)CC(C)C ZINC000159635662 363091764 /nfs/dbraw/zinc/09/17/64/363091764.db2.gz HMHIXFXQCMERMV-CYBMUJFWSA-N 1 0 273.421 1.689 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N[C@H](C)C(C)C)C(=O)OC ZINC000159657831 363147470 /nfs/dbraw/zinc/14/74/70/363147470.db2.gz KEVHWECQRBRSKY-GFCCVEGCSA-N 1 0 286.416 1.716 20 70 CDIDRO CCOC(=O)CCCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159715526 363221737 /nfs/dbraw/zinc/22/17/37/363221737.db2.gz ARKAPEUQTUMLGU-STQMWFEESA-N 1 0 257.374 1.813 20 70 CDIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160154303 188457770 /nfs/dbraw/zinc/45/77/70/188457770.db2.gz HVHPAMVONOCUPQ-JSGCOSHPSA-N 1 0 290.363 1.606 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccnn1C(C)C ZINC000161391669 188524659 /nfs/dbraw/zinc/52/46/59/188524659.db2.gz ACOSIJJCQGSNHX-GFCCVEGCSA-N 1 0 266.389 1.924 20 70 CDIDRO O=C(NC[C@H](O)c1ccsc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161498537 188530841 /nfs/dbraw/zinc/53/08/41/188530841.db2.gz NQAWPRCQARVLOQ-PYJNHQTQSA-N 1 0 294.420 1.818 20 70 CDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159767573 363296809 /nfs/dbraw/zinc/29/68/09/363296809.db2.gz COZRCCPLTYGLGO-LBPRGKRZSA-N 1 0 294.374 1.752 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000160007722 363571175 /nfs/dbraw/zinc/57/11/75/363571175.db2.gz GUVCNHIOTVSMGF-AXFHLTTASA-N 1 0 271.430 1.662 20 70 CDIDRO CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000160975038 360462904 /nfs/dbraw/zinc/46/29/04/360462904.db2.gz FFSXGCFKSAQERI-CABCVRRESA-N 1 0 292.379 1.375 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C12CCC2 ZINC000160996211 361024331 /nfs/dbraw/zinc/02/43/31/361024331.db2.gz HDQGOYVVDIBRHB-OLZOCXBDSA-N 1 0 296.411 1.219 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000159428729 361696046 /nfs/dbraw/zinc/69/60/46/361696046.db2.gz BSCHTIRCPKVKJI-GWCFXTLKSA-N 1 0 250.317 1.955 20 70 CDIDRO O=C(Nc1cccc(C(=O)N2CC[NH2+]CC2)c1)NC1CC1 ZINC000159448997 364208194 /nfs/dbraw/zinc/20/81/94/364208194.db2.gz SMORPCBIVMEOEV-UHFFFAOYSA-N 1 0 288.351 1.016 20 70 CDIDRO Cc1csc([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000159744094 364260154 /nfs/dbraw/zinc/26/01/54/364260154.db2.gz VLSQGJUYQUWXKD-ONGXEEELSA-N 1 0 267.398 1.765 20 70 CDIDRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159777881 364264059 /nfs/dbraw/zinc/26/40/59/364264059.db2.gz UYYZIOLLTPEKIQ-OAHLLOKOSA-N 1 0 276.380 1.735 20 70 CDIDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159814776 364270236 /nfs/dbraw/zinc/27/02/36/364270236.db2.gz BTZMVRGBCQRMDL-LLVKDONJSA-N 1 0 292.383 1.029 20 70 CDIDRO [NH3+]C1(CNC(=O)c2ccc(-n3cnnc3)cc2)CCCCC1 ZINC000159541151 364230646 /nfs/dbraw/zinc/23/06/46/364230646.db2.gz FXFIEOPOAOZWHQ-UHFFFAOYSA-N 1 0 299.378 1.659 20 70 CDIDRO COc1ccccc1[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160214169 364320059 /nfs/dbraw/zinc/32/00/59/364320059.db2.gz XZNZTPKFWYCXPO-VXGBXAGGSA-N 1 0 262.353 1.748 20 70 CDIDRO CN(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160317161 364334111 /nfs/dbraw/zinc/33/41/11/364334111.db2.gz MJESRYRAZMMOKE-CYBMUJFWSA-N 1 0 290.367 1.343 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160071171 364301798 /nfs/dbraw/zinc/30/17/98/364301798.db2.gz TVXDCSVZALBZQQ-ZJUUUORDSA-N 1 0 268.307 1.922 20 70 CDIDRO CC[N@@H+]1CC[C@H](CNC(=O)/C=C/c2cnn(C)c2C)C1 ZINC000160663899 364392175 /nfs/dbraw/zinc/39/21/75/364392175.db2.gz BTJQVWUASUKDMG-URWSZGRFSA-N 1 0 276.384 1.200 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC000160711062 364400720 /nfs/dbraw/zinc/40/07/20/364400720.db2.gz VHOXFEKYKSNPJX-GFCCVEGCSA-N 1 0 268.307 1.718 20 70 CDIDRO CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000161415868 364489020 /nfs/dbraw/zinc/48/90/20/364489020.db2.gz KMEMCTIWVJTNPI-CYBMUJFWSA-N 1 0 288.347 1.770 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccccc1 ZINC000161363232 373509125 /nfs/dbraw/zinc/50/91/25/373509125.db2.gz CSHTTXRPOROBNJ-CQSZACIVSA-N 1 0 274.364 1.860 20 70 CDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217587937 373715500 /nfs/dbraw/zinc/71/55/00/373715500.db2.gz IHIXSNBWDGYARK-DZGCQCFKSA-N 1 0 275.396 1.535 20 70 CDIDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1)N(C)C1CC1 ZINC000218665341 373788389 /nfs/dbraw/zinc/78/83/89/373788389.db2.gz OFDFYTTUINRNJX-HIFRSBDPSA-N 1 0 278.396 1.499 20 70 CDIDRO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449691 375371016 /nfs/dbraw/zinc/37/10/16/375371016.db2.gz MQAIKVFIKWJQHF-GFCCVEGCSA-N 1 0 292.354 1.984 20 70 CDIDRO CCOC(=O)[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H](C)CC ZINC000161507058 375651235 /nfs/dbraw/zinc/65/12/35/375651235.db2.gz OIYJDEKOXBRCPU-NTZNESFSSA-N 1 0 270.373 1.223 20 70 CDIDRO COC(=O)CN1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000217787422 375734252 /nfs/dbraw/zinc/73/42/52/375734252.db2.gz LWTBHWSNBDCVNO-UHFFFAOYSA-N 1 0 277.368 1.117 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160451543 377089090 /nfs/dbraw/zinc/08/90/90/377089090.db2.gz QTGOPJIOGICSEZ-UKRRQHHQSA-N 1 0 290.363 1.935 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1CO ZINC000160947633 377138605 /nfs/dbraw/zinc/13/86/05/377138605.db2.gz DEVUSYLBJWJQBE-LSDHHAIUSA-N 1 0 297.443 1.663 20 70 CDIDRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161322347 285066015 /nfs/dbraw/zinc/06/60/15/285066015.db2.gz KXWVPDKPYYKHMF-CQSZACIVSA-N 1 0 294.420 1.432 20 70 CDIDRO CN(CC(=O)N1CCc2ccccc2C1)[C@@H](C[NH3+])C1CC1 ZINC000160149074 392498043 /nfs/dbraw/zinc/49/80/43/392498043.db2.gz HCBXYVXSBUBIOG-INIZCTEOSA-N 1 0 287.407 1.240 20 70 CDIDRO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000217578660 392962589 /nfs/dbraw/zinc/96/25/89/392962589.db2.gz LIMHTERJJLZADQ-HUUCEWRRSA-N 1 0 265.353 1.021 20 70 CDIDRO CN(Cc1ccccc1)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160091378 139909857 /nfs/dbraw/zinc/90/98/57/139909857.db2.gz BSROXPBEVLNROY-HNNXBMFYSA-N 1 0 275.396 1.314 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000161158430 139911466 /nfs/dbraw/zinc/91/14/66/139911466.db2.gz XBXIGCGAPSXNLP-NEPJUHHUSA-N 1 0 278.352 1.188 20 70 CDIDRO Nc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217805166 140164417 /nfs/dbraw/zinc/16/44/17/140164417.db2.gz FHEXQTNJTBRQSH-KGLIPLIRSA-N 1 0 259.353 1.625 20 70 CDIDRO CCc1cccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160046243 147707906 /nfs/dbraw/zinc/70/79/06/147707906.db2.gz BPLDFUIPOSFHLR-HNNXBMFYSA-N 1 0 275.396 1.857 20 70 CDIDRO COC(C[N@@H+]1CCCN(c2ccc(F)cc2)CC1)OC ZINC000160647428 274012531 /nfs/dbraw/zinc/01/25/31/274012531.db2.gz BFUURLCMEUZLHA-UHFFFAOYSA-N 1 0 282.359 1.957 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000160480839 277039881 /nfs/dbraw/zinc/03/98/81/277039881.db2.gz XSBBZSQBUPRUPE-MGPQQGTHSA-N 1 0 262.328 1.750 20 70 CDIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161126434 277581436 /nfs/dbraw/zinc/58/14/36/277581436.db2.gz QXNKRGCAOXLFGZ-WCQYABFASA-N 1 0 280.343 1.851 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161244920 277596578 /nfs/dbraw/zinc/59/65/78/277596578.db2.gz HWCLCLXFSSFXBM-FOGDFJRCSA-N 1 0 250.317 1.877 20 70 CDIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000160354460 280372916 /nfs/dbraw/zinc/37/29/16/280372916.db2.gz HBBGNTKVUHTXDN-ZIAGYGMSSA-N 1 0 268.401 1.650 20 70 CDIDRO C[C@@H]1Sc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2NC1=O ZINC000160222518 288948123 /nfs/dbraw/zinc/94/81/23/288948123.db2.gz TWHSEDNEYRFMQO-WCBMZHEXSA-N 1 0 291.376 1.293 20 70 CDIDRO CS[C@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000159774220 292768430 /nfs/dbraw/zinc/76/84/30/292768430.db2.gz VWUDGARKVHLSJX-LLVKDONJSA-N 1 0 273.446 1.769 20 70 CDIDRO CC[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+](C)C ZINC000160356427 292784652 /nfs/dbraw/zinc/78/46/52/292784652.db2.gz XSAQWVNGLZURDG-CQSZACIVSA-N 1 0 299.459 1.143 20 70 CDIDRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)oc1C ZINC000160368940 292785616 /nfs/dbraw/zinc/78/56/16/292785616.db2.gz UROCTEGSNDNOMZ-GFCCVEGCSA-N 1 0 250.342 1.920 20 70 CDIDRO COc1cc(CN2CC[NH2+]CC2(C)C)cc2c1OCO2 ZINC000159987240 482775652 /nfs/dbraw/zinc/77/56/52/482775652.db2.gz ZRJZPWZGJUSWNW-UHFFFAOYSA-N 1 0 278.352 1.608 20 70 CDIDRO COCCOc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161058382 482857702 /nfs/dbraw/zinc/85/77/02/482857702.db2.gz PXHPEPAJPUYUID-UONOGXRCSA-N 1 0 292.379 1.712 20 70 CDIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1C(C)(C)C ZINC000161286944 482872751 /nfs/dbraw/zinc/87/27/51/482872751.db2.gz ICDWTNZBIRGIGO-NEPJUHHUSA-N 1 0 278.400 1.946 20 70 CDIDRO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161363161 482874501 /nfs/dbraw/zinc/87/45/01/482874501.db2.gz WZDRNTGKPIEUEZ-RYUDHWBXSA-N 1 0 265.357 1.610 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000161471276 482879264 /nfs/dbraw/zinc/87/92/64/482879264.db2.gz DFXIZTATXJJQJI-ZIAGYGMSSA-N 1 0 284.363 1.872 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC000161092127 519914839 /nfs/dbraw/zinc/91/48/39/519914839.db2.gz FTWNYOSRPYPGPA-CQSZACIVSA-N 1 0 268.401 1.651 20 70 CDIDRO [NH3+]CC1(C(=O)Nc2cnn(CC(F)(F)F)c2)CCCC1 ZINC000159693702 534586589 /nfs/dbraw/zinc/58/65/89/534586589.db2.gz IKYHGROJIQKVQE-UHFFFAOYSA-N 1 0 290.289 1.903 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000160512015 522503306 /nfs/dbraw/zinc/50/33/06/522503306.db2.gz GXNPTDVNBZJGEH-LBPRGKRZSA-N 1 0 269.348 1.977 20 70 CDIDRO CN1CCN(C)[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000161103566 523890931 /nfs/dbraw/zinc/89/09/31/523890931.db2.gz BOQHVYUCSKMTHY-CQSZACIVSA-N 1 0 273.380 1.768 20 70 CDIDRO O=C(C[C@H]1C[NH2+]CCO1)N1CCSC2(CCCCC2)C1 ZINC000161451669 527176078 /nfs/dbraw/zinc/17/60/78/527176078.db2.gz UUOABWHGUWLILH-ZDUSSCGKSA-N 1 0 298.452 1.643 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000160076771 527255105 /nfs/dbraw/zinc/25/51/05/527255105.db2.gz HIDLUJOMXJMVCF-UHFFFAOYSA-N 1 0 299.378 1.816 20 70 CDIDRO CC(C)CN(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160213144 527919261 /nfs/dbraw/zinc/91/92/61/527919261.db2.gz XQFWIHUIZDYZNN-CQSZACIVSA-N 1 0 275.396 1.952 20 70 CDIDRO CC[C@H](Oc1ccccc1F)C(=O)NCC(C)(C)[NH3+] ZINC000160122935 529168258 /nfs/dbraw/zinc/16/82/58/529168258.db2.gz NVVOVUDNTUXDCH-NSHDSACASA-N 1 0 268.332 1.837 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000161158372 537099258 /nfs/dbraw/zinc/09/92/58/537099258.db2.gz XBXIGCGAPSXNLP-RYUDHWBXSA-N 1 0 278.352 1.188 20 70 CDIDRO Cc1noc(COc2ccc(NC(=O)C(C)(C)[NH3+])cc2)n1 ZINC000159663281 361767166 /nfs/dbraw/zinc/76/71/66/361767166.db2.gz KYSPGVQRYLAIRI-UHFFFAOYSA-N 1 0 290.323 1.633 20 70 CDIDRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000159691539 361782478 /nfs/dbraw/zinc/78/24/78/361782478.db2.gz KZPGSRLKJQNYDE-RYUDHWBXSA-N 1 0 279.384 1.581 20 70 CDIDRO CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159709632 361805613 /nfs/dbraw/zinc/80/56/13/361805613.db2.gz RHJUILKOLVMYQX-CYBMUJFWSA-N 1 0 298.431 1.028 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1CCOCC1 ZINC000159947508 539115104 /nfs/dbraw/zinc/11/51/04/539115104.db2.gz CPVSHFMVCHXWLY-SNVBAGLBSA-N 1 0 263.403 1.214 20 70 CDIDRO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160842577 539116866 /nfs/dbraw/zinc/11/68/66/539116866.db2.gz WJZSFKRAXFIPQL-BBRMVZONSA-N 1 0 290.407 1.702 20 70 CDIDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160774663 362168236 /nfs/dbraw/zinc/16/82/36/362168236.db2.gz HCSVBQZHVQCGNS-JCGVRSQUSA-N 1 0 267.394 1.809 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSCc2cccnc2)C1 ZINC000160989712 347009234 /nfs/dbraw/zinc/00/92/34/347009234.db2.gz QQLZJUDSRPQNTH-QWHCGFSZSA-N 1 0 279.409 1.701 20 70 CDIDRO CC[C@@H]1CCC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000159365905 362314908 /nfs/dbraw/zinc/31/49/08/362314908.db2.gz HZLSUWWCQOWVLR-CHWSQXEVSA-N 1 0 268.401 1.840 20 70 CDIDRO Cn1nncc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159380736 362316747 /nfs/dbraw/zinc/31/67/47/362316747.db2.gz ZITKRBOMSXAYTJ-UHFFFAOYSA-N 1 0 287.411 1.815 20 70 CDIDRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H]([NH3+])COC)c1 ZINC000159435484 362322215 /nfs/dbraw/zinc/32/22/15/362322215.db2.gz SNCKBQQYPOYKBX-CYBMUJFWSA-N 1 0 293.367 1.081 20 70 CDIDRO [NH3+]C1(CNC(=O)C[C@H]2CCCCO2)CCCCC1 ZINC000159480480 362326822 /nfs/dbraw/zinc/32/68/22/362326822.db2.gz MAIJHMCHYFZWBI-GFCCVEGCSA-N 1 0 254.374 1.723 20 70 CDIDRO COc1cc(C[NH2+][C@@H](C)CN(C)C)cc2c1OCO2 ZINC000159911542 362379819 /nfs/dbraw/zinc/37/98/19/362379819.db2.gz IVKYVGNEFPFSDI-JTQLQIEISA-N 1 0 266.341 1.464 20 70 CDIDRO COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160117504 362395420 /nfs/dbraw/zinc/39/54/20/362395420.db2.gz WCDMEAQGWGTWAG-WCFLWFBJSA-N 1 0 262.353 2.000 20 70 CDIDRO CN(C)c1ncc(CNCC2([NH+](C)C)CCCC2)n1C ZINC000160669249 362465737 /nfs/dbraw/zinc/46/57/37/362465737.db2.gz BJSBGVTZOMYKKO-UHFFFAOYSA-N 1 0 279.432 1.450 20 70 CDIDRO O=c1n(-c2ccccc2)cnn1CCC[NH+]1CCCCC1 ZINC000217651284 344851680 /nfs/dbraw/zinc/85/16/80/344851680.db2.gz UKAREEUMSIDVFV-UHFFFAOYSA-N 1 0 286.379 1.910 20 70 CDIDRO CC[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160743142 346479983 /nfs/dbraw/zinc/47/99/83/346479983.db2.gz NOWVRQUNKUCGOA-KBPBESRZSA-N 1 0 281.400 1.291 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159733081 363250939 /nfs/dbraw/zinc/25/09/39/363250939.db2.gz OWIKBDVQNUEEOD-AWEZNQCLSA-N 1 0 295.427 1.539 20 70 CDIDRO O=C(NCc1ncc[nH]1)[C@@H]1OCCc2ccccc21 ZINC000159745157 363270018 /nfs/dbraw/zinc/27/00/18/363270018.db2.gz GAFCDYJVWLZTQC-CYBMUJFWSA-N 1 0 257.293 1.340 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159793460 363320477 /nfs/dbraw/zinc/32/04/77/363320477.db2.gz BXYQKYNOHXGWJL-CHWSQXEVSA-N 1 0 285.432 1.974 20 70 CDIDRO C[C@H]1C[C@H](NC(=O)NCc2ncccc2F)C[N@@H+]1C1CC1 ZINC000160004904 363569830 /nfs/dbraw/zinc/56/98/30/363569830.db2.gz WNHUYXNZAAWYIZ-QWRGUYRKSA-N 1 0 292.358 1.645 20 70 CDIDRO CC[C@H](C)OCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159373675 358450081 /nfs/dbraw/zinc/45/00/81/358450081.db2.gz DLXYJSSYYACXJY-STQMWFEESA-N 1 0 256.390 1.650 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000160467308 358669146 /nfs/dbraw/zinc/66/91/46/358669146.db2.gz FENLYIITQHRWGC-NWDGAFQWSA-N 1 0 270.373 1.319 20 70 CDIDRO CSC[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000159724548 237154580 /nfs/dbraw/zinc/15/45/80/237154580.db2.gz MQVRFIFXSBDYOD-MNOVXSKESA-N 1 0 258.431 1.880 20 70 CDIDRO CCOC(=O)NCCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160135587 363683381 /nfs/dbraw/zinc/68/33/81/363683381.db2.gz GMTUHGPGKVWFDL-GFCCVEGCSA-N 1 0 297.399 1.113 20 70 CDIDRO O=C(Nc1cnn(CC(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000160989492 360683826 /nfs/dbraw/zinc/68/38/26/360683826.db2.gz KBCQNJXXRWIPHB-SECBINFHSA-N 1 0 258.272 1.229 20 70 CDIDRO Cn1ccnc1CN(CCC(N)=O)Cc1ccccc1 ZINC000160726499 360833509 /nfs/dbraw/zinc/83/35/09/360833509.db2.gz OTFHTVFVORIPMC-UHFFFAOYSA-N 1 0 272.352 1.298 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000159459804 361712988 /nfs/dbraw/zinc/71/29/88/361712988.db2.gz OWKOKLCMWVJTPH-UONOGXRCSA-N 1 0 283.416 1.585 20 70 CDIDRO CS[C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000160314703 363812293 /nfs/dbraw/zinc/81/22/93/363812293.db2.gz HNRIMKLHVHLCAC-VXGBXAGGSA-N 1 0 258.431 1.976 20 70 CDIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000160548866 363985372 /nfs/dbraw/zinc/98/53/72/363985372.db2.gz XFIJPGSELSEPQZ-OLZOCXBDSA-N 1 0 297.443 1.467 20 70 CDIDRO C[C@@H](NCC(=O)NCC(F)(F)F)c1ccoc1 ZINC000160624510 364104099 /nfs/dbraw/zinc/10/40/99/364104099.db2.gz KPDTUBLSYLGJBJ-SSDOTTSWSA-N 1 0 250.220 1.609 20 70 CDIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000159667518 364249434 /nfs/dbraw/zinc/24/94/34/364249434.db2.gz NXADZFQZMHMRRK-FZMZJTMJSA-N 1 0 286.379 1.975 20 70 CDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)nn1 ZINC000159767466 364262101 /nfs/dbraw/zinc/26/21/01/364262101.db2.gz WQPIILKNYWCKMP-NSHDSACASA-N 1 0 278.356 1.089 20 70 CDIDRO Cc1n[nH]c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159840285 364271739 /nfs/dbraw/zinc/27/17/39/364271739.db2.gz FDTXEPLIRUFFHX-UHFFFAOYSA-N 1 0 250.346 1.114 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000159528445 364227893 /nfs/dbraw/zinc/22/78/93/364227893.db2.gz PXTYCOQHHOVMBV-MNOVXSKESA-N 1 0 268.332 1.143 20 70 CDIDRO C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160287491 364328825 /nfs/dbraw/zinc/32/88/25/364328825.db2.gz OQXWCUZQDOAUQG-BXUZGUMPSA-N 1 0 264.344 1.954 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000160507840 364365098 /nfs/dbraw/zinc/36/50/98/364365098.db2.gz MHGHWHUOBGDFQT-HNNXBMFYSA-N 1 0 298.390 1.625 20 70 CDIDRO NC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161036050 364440220 /nfs/dbraw/zinc/44/02/20/364440220.db2.gz KAIFDAYUAFISRU-ZDUSSCGKSA-N 1 0 285.351 1.821 20 70 CDIDRO CCOC(=O)CCCN1CCN(Cc2ccncc2)CC1 ZINC000161210656 364464172 /nfs/dbraw/zinc/46/41/72/364464172.db2.gz SMGTUPMUDHEWCR-UHFFFAOYSA-N 1 0 291.395 1.543 20 70 CDIDRO C[C@]1(O)CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160440964 369513295 /nfs/dbraw/zinc/51/32/95/369513295.db2.gz GPMVLDOGVFBHAO-DOMZBBRYSA-N 1 0 281.400 1.027 20 70 CDIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccccc1)C1CC1 ZINC000218378022 373745976 /nfs/dbraw/zinc/74/59/76/373745976.db2.gz HWUJJZHWGBYMTG-OAHLLOKOSA-N 1 0 278.396 1.500 20 70 CDIDRO COc1ccc([C@H](C)CCNC(=O)C2([NH3+])CC2)cc1 ZINC000160550439 377086664 /nfs/dbraw/zinc/08/66/64/377086664.db2.gz TUWGQQNICAIECO-LLVKDONJSA-N 1 0 262.353 1.796 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1CO ZINC000161010162 377147732 /nfs/dbraw/zinc/14/77/32/377147732.db2.gz DEVUSYLBJWJQBE-CABCVRRESA-N 1 0 297.443 1.663 20 70 CDIDRO C[N@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)C1CCCC1 ZINC000161436944 391592443 /nfs/dbraw/zinc/59/24/43/391592443.db2.gz GUSUWDOPUBTEJT-CYBMUJFWSA-N 1 0 290.411 1.436 20 70 CDIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000161054597 139911981 /nfs/dbraw/zinc/91/19/81/139911981.db2.gz CWRNMNSJDJKKEK-UWVGGRQHSA-N 1 0 266.316 1.621 20 70 CDIDRO C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000218002123 140165742 /nfs/dbraw/zinc/16/57/42/140165742.db2.gz SPSAFRHANRVYNX-AGIUHOORSA-N 1 0 253.390 1.911 20 70 CDIDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160945221 277239612 /nfs/dbraw/zinc/23/96/12/277239612.db2.gz YPLHQHLMVMXNAG-NSHDSACASA-N 1 0 274.368 1.457 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000161113735 278938139 /nfs/dbraw/zinc/93/81/39/278938139.db2.gz QLWOBNMQVIREEG-AVGNSLFASA-N 1 0 268.401 1.968 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000159548560 279177599 /nfs/dbraw/zinc/17/75/99/279177599.db2.gz ADBGMAVUTBJOKZ-YFKTTZPYSA-N 1 0 254.374 1.290 20 70 CDIDRO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)[NH+](C)C ZINC000159777526 280081362 /nfs/dbraw/zinc/08/13/62/280081362.db2.gz BYSNUERJDLCHQK-FVCCEPFGSA-N 1 0 254.374 1.400 20 70 CDIDRO COC(=O)c1ccc(NCC[NH+]2CCSCC2)nc1C ZINC000218015113 280090011 /nfs/dbraw/zinc/09/00/11/280090011.db2.gz QXCBHPFKNVGFOM-UHFFFAOYSA-N 1 0 295.408 1.637 20 70 CDIDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000160162552 292779270 /nfs/dbraw/zinc/77/92/70/292779270.db2.gz YLYZTCWYJMFZRJ-ZDUSSCGKSA-N 1 0 274.368 1.632 20 70 CDIDRO COCCCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160377132 292785625 /nfs/dbraw/zinc/78/56/25/292785625.db2.gz TVSPYORSYOPVBP-UHFFFAOYSA-N 1 0 285.432 1.929 20 70 CDIDRO CCc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160158902 482786450 /nfs/dbraw/zinc/78/64/50/482786450.db2.gz YZUAJLUJVQDIGP-AWEZNQCLSA-N 1 0 281.396 1.597 20 70 CDIDRO CNC(=O)c1cccc(CCNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000160371082 482797039 /nfs/dbraw/zinc/79/70/39/482797039.db2.gz MYVWOAUCRUEJJH-AWEZNQCLSA-N 1 0 291.395 1.078 20 70 CDIDRO CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160879201 482835584 /nfs/dbraw/zinc/83/55/84/482835584.db2.gz KQKREULNWUWBFJ-NWDGAFQWSA-N 1 0 283.416 1.315 20 70 CDIDRO COC1(C(=O)NCCCC(C)(C)C)CC[NH2+]CC1 ZINC000160539613 522546985 /nfs/dbraw/zinc/54/69/85/522546985.db2.gz WANTZUVMNCYNMO-UHFFFAOYSA-N 1 0 256.390 1.698 20 70 CDIDRO CC[C@H](C)N(C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413456 523920400 /nfs/dbraw/zinc/92/04/00/523920400.db2.gz LWWRCTYTIXDHOF-GRTSSRMGSA-N 1 0 269.433 1.754 20 70 CDIDRO C[C@]1(C(=O)NC[C@H](O)C2CCCCC2)CCC[NH2+]C1 ZINC000161438482 525209169 /nfs/dbraw/zinc/20/91/69/525209169.db2.gz JDKCCVOKWJTYPP-ZFWWWQNUSA-N 1 0 268.401 1.434 20 70 CDIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C[NH3+] ZINC000161057136 361751392 /nfs/dbraw/zinc/75/13/92/361751392.db2.gz ABRDJFTVLSKKNW-PRHODGIISA-N 1 0 256.733 1.491 20 70 CDIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)NC1CC1 ZINC000159639378 361758602 /nfs/dbraw/zinc/75/86/02/361758602.db2.gz RAZJBHONTDODJI-JQWIXIFHSA-N 1 0 265.357 1.239 20 70 CDIDRO c1cn(CCN2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000159802674 361864214 /nfs/dbraw/zinc/86/42/14/361864214.db2.gz HUMQYEVPURETCD-OAHLLOKOSA-N 1 0 262.401 1.833 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000159806978 361866870 /nfs/dbraw/zinc/86/68/70/361866870.db2.gz YBUBMJPMGPISKJ-TZMCWYRMSA-N 1 0 294.370 1.766 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000161129695 361876904 /nfs/dbraw/zinc/87/69/04/361876904.db2.gz BIFSGUMXFNYNLB-DOMZBBRYSA-N 1 0 292.379 1.721 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161157770 361900889 /nfs/dbraw/zinc/90/08/89/361900889.db2.gz LHDNYYRWOMIPCS-OLZOCXBDSA-N 1 0 292.379 1.721 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCO)C1CC1 ZINC000160970043 362575518 /nfs/dbraw/zinc/57/55/18/362575518.db2.gz KFAFIFZWBILPQB-HNNXBMFYSA-N 1 0 297.443 1.663 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2cscn2)C1 ZINC000159581175 362992018 /nfs/dbraw/zinc/99/20/18/362992018.db2.gz MXMPJCUWBNNDAN-LBPRGKRZSA-N 1 0 282.413 1.421 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2OC)C1 ZINC000160512887 188477537 /nfs/dbraw/zinc/47/75/37/188477537.db2.gz DTGFOEPIMDOXBK-ZDUSSCGKSA-N 1 0 262.353 1.448 20 70 CDIDRO COC(=O)NCc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160957035 188499849 /nfs/dbraw/zinc/49/98/49/188499849.db2.gz LNVWVHPOGRZOCZ-GFCCVEGCSA-N 1 0 291.351 1.481 20 70 CDIDRO C[C@@H](CNC(=O)N(C)CC1CCOCC1)[N@H+](C)C1CC1 ZINC000159799178 363315504 /nfs/dbraw/zinc/31/55/04/363315504.db2.gz WIUKXAPTWVNBKL-LBPRGKRZSA-N 1 0 283.416 1.537 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000159824749 363354666 /nfs/dbraw/zinc/35/46/66/363354666.db2.gz JLHMHAYFZXOOCB-HNNXBMFYSA-N 1 0 283.416 1.416 20 70 CDIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCOC1 ZINC000159441373 237150926 /nfs/dbraw/zinc/15/09/26/237150926.db2.gz KDXNBBXLFGUWAO-QWHCGFSZSA-N 1 0 269.389 1.339 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963710 360215547 /nfs/dbraw/zinc/21/55/47/360215547.db2.gz DDCMSENIYQJGKG-CABCVRRESA-N 1 0 294.395 1.751 20 70 CDIDRO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC[NH2+]CC1 ZINC000160860957 361434195 /nfs/dbraw/zinc/43/41/95/361434195.db2.gz HMUTXLJERBDOIS-NWDGAFQWSA-N 1 0 280.318 1.890 20 70 CDIDRO CC[NH+](CC)CC(=O)NCCc1cccc(O)c1 ZINC000160254871 363798181 /nfs/dbraw/zinc/79/81/81/363798181.db2.gz XFKKTTYKSDUXAV-UHFFFAOYSA-N 1 0 250.342 1.393 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1CCCC[NH2+]1 ZINC000161002233 361616060 /nfs/dbraw/zinc/61/60/60/361616060.db2.gz WKMJIQXFKJRWJI-SSDOTTSWSA-N 1 0 293.314 1.920 20 70 CDIDRO CC[C@H](C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159445067 361700325 /nfs/dbraw/zinc/70/03/25/361700325.db2.gz KJGNDXBCZREBKH-XQQFMLRXSA-N 1 0 254.374 1.497 20 70 CDIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ncc(C(C)=O)s1 ZINC000159509325 361725376 /nfs/dbraw/zinc/72/53/76/361725376.db2.gz OGPUOWARFWNTIK-HZGVNTEJSA-N 1 0 255.343 1.658 20 70 CDIDRO CCCC[C@H](COC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160584928 364065388 /nfs/dbraw/zinc/06/53/88/364065388.db2.gz CTEUNYLXRIHXEL-SECBINFHSA-N 1 0 270.295 1.460 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159369695 364193661 /nfs/dbraw/zinc/19/36/61/364193661.db2.gz PJTLLJTZDIUSDQ-GXTWGEPZSA-N 1 0 262.353 1.495 20 70 CDIDRO COc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1OC ZINC000159783773 364265460 /nfs/dbraw/zinc/26/54/60/364265460.db2.gz MXHRKATWDFQXQT-UHFFFAOYSA-N 1 0 292.379 1.791 20 70 CDIDRO CC[C@H](C(=O)NC[C@@H](O)c1cccc(F)c1)[NH+](C)C ZINC000160332277 364336377 /nfs/dbraw/zinc/33/63/77/364336377.db2.gz OLPZTMULTHUEHH-CHWSQXEVSA-N 1 0 268.332 1.316 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)NCC(C)(C)[NH3+])c1 ZINC000160079846 364304145 /nfs/dbraw/zinc/30/41/45/364304145.db2.gz SAGAQPRHNPEDNH-UHFFFAOYSA-N 1 0 264.325 1.122 20 70 CDIDRO C[C@H]([NH3+])C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000160114378 364307507 /nfs/dbraw/zinc/30/75/07/364307507.db2.gz LVSACRMKLOVRKB-JTQLQIEISA-N 1 0 250.317 1.706 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000160530769 364367242 /nfs/dbraw/zinc/36/72/42/364367242.db2.gz HUVJHUXWOKCCQP-JTQLQIEISA-N 1 0 287.319 1.069 20 70 CDIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[nH]n1 ZINC000160605020 364380854 /nfs/dbraw/zinc/38/08/54/364380854.db2.gz WPKBUHMEDVYOIX-GFCCVEGCSA-N 1 0 264.373 1.568 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC000160768845 364408182 /nfs/dbraw/zinc/40/81/82/364408182.db2.gz MANCADTWXXKKES-YPMHNXCESA-N 1 0 264.344 1.825 20 70 CDIDRO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cnn1CC(C)C ZINC000161262793 364470725 /nfs/dbraw/zinc/47/07/25/364470725.db2.gz GXIMAGRLCVRQKU-CYBMUJFWSA-N 1 0 278.400 1.529 20 70 CDIDRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161470297 375429150 /nfs/dbraw/zinc/42/91/50/375429150.db2.gz NCFWONUMNYDXCZ-XCLFUZPHSA-N 1 0 294.420 1.525 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000160322919 377057437 /nfs/dbraw/zinc/05/74/37/377057437.db2.gz PFZPUAYVEFFNRH-SNVBAGLBSA-N 1 0 288.376 1.768 20 70 CDIDRO CCOC(=O)NCCCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000161490776 377681668 /nfs/dbraw/zinc/68/16/68/377681668.db2.gz GFVYYPCHMHSXOA-QWHCGFSZSA-N 1 0 299.415 1.502 20 70 CDIDRO C[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159755030 390941325 /nfs/dbraw/zinc/94/13/25/390941325.db2.gz PKKNEXAQGGHHNV-CYBMUJFWSA-N 1 0 293.411 1.973 20 70 CDIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)CC(N)=O)CC2 ZINC000161358115 390959131 /nfs/dbraw/zinc/95/91/31/390959131.db2.gz UKSVJXNWRMCWNE-GXFFZTMASA-N 1 0 262.353 1.406 20 70 CDIDRO CCC(CC)(CC)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000160989361 270241818 /nfs/dbraw/zinc/24/18/18/270241818.db2.gz XMFFBVZITSPDHP-LBPRGKRZSA-N 1 0 256.390 1.840 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000160652195 279875596 /nfs/dbraw/zinc/87/55/96/279875596.db2.gz FAIQOWPEBBDYTI-ZDUSSCGKSA-N 1 0 290.363 1.211 20 70 CDIDRO CC[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCCC1 ZINC000161273408 280144027 /nfs/dbraw/zinc/14/40/27/280144027.db2.gz UWCGIEJJZVKYJP-GPANFISMSA-N 1 0 281.444 1.898 20 70 CDIDRO Cc1cc(Br)oc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160255432 280312424 /nfs/dbraw/zinc/31/24/24/280312424.db2.gz OJVXSKMTTVGEGY-MRVPVSSYSA-N 1 0 287.157 1.914 20 70 CDIDRO Cc1cc(F)c(C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000160152719 280512383 /nfs/dbraw/zinc/51/23/83/280512383.db2.gz GNGQUPCTQNLSIK-SECBINFHSA-N 1 0 254.280 1.837 20 70 CDIDRO C[C@H]([NH2+]CCCN1CCCC1=O)C1CCOCC1 ZINC000159585983 292762601 /nfs/dbraw/zinc/76/26/01/292762601.db2.gz IDCJAPGKGZCGCT-LBPRGKRZSA-N 1 0 254.374 1.404 20 70 CDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160320132 292783725 /nfs/dbraw/zinc/78/37/25/292783725.db2.gz IAQPBYZMSCARSW-DZGCQCFKSA-N 1 0 283.416 1.417 20 70 CDIDRO CO[C@@H]1CCN(Cc2nccn2C(F)F)[C@H](C[NH3+])C1 ZINC000161175689 293754229 /nfs/dbraw/zinc/75/42/29/293754229.db2.gz SVKIMSNMLVYIPO-VHSXEESVSA-N 1 0 274.315 1.216 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000160216853 482789936 /nfs/dbraw/zinc/78/99/36/482789936.db2.gz PPNGEBNIXIYSAJ-MRVPVSSYSA-N 1 0 277.324 1.704 20 70 CDIDRO Cc1cccc(C(=O)N(C)CCN2CC[NH2+]CC2)c1Cl ZINC000160392534 482798303 /nfs/dbraw/zinc/79/83/03/482798303.db2.gz BGFCYCRQFVAEIQ-UHFFFAOYSA-N 1 0 295.814 1.626 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C[C@H](C)O ZINC000160573301 482812298 /nfs/dbraw/zinc/81/22/98/482812298.db2.gz GMFBQLRJVMFAIQ-GBIKHYSHSA-N 1 0 284.787 1.863 20 70 CDIDRO COc1cccc(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161186319 482867220 /nfs/dbraw/zinc/86/72/20/482867220.db2.gz UGNOPDAEKDMIEZ-QWHCGFSZSA-N 1 0 262.353 1.624 20 70 CDIDRO Cc1nn(C)c2ncc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000161216551 482871202 /nfs/dbraw/zinc/87/12/02/482871202.db2.gz NIBBFFNQKZDIHO-RYUDHWBXSA-N 1 0 287.367 1.276 20 70 CDIDRO CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161276655 482872464 /nfs/dbraw/zinc/87/24/64/482872464.db2.gz YARKQTYIYAYJPF-QWHCGFSZSA-N 1 0 283.416 1.411 20 70 CDIDRO CC(C)[C@@H](O)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000160897830 519800448 /nfs/dbraw/zinc/80/04/48/519800448.db2.gz FWFSRGFZUZOFLN-ZDUSSCGKSA-N 1 0 250.342 1.282 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000160529051 522393115 /nfs/dbraw/zinc/39/31/15/522393115.db2.gz SJPDUMIVCCXASW-SECBINFHSA-N 1 0 251.355 1.454 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000159672981 526740102 /nfs/dbraw/zinc/74/01/02/526740102.db2.gz WGOYOFSNIUVJKG-UPJWGTAASA-N 1 0 268.401 1.553 20 70 CDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(CCO)C1CC1 ZINC000160787334 527043804 /nfs/dbraw/zinc/04/38/04/527043804.db2.gz NYVLYLCJIBVPKB-LBPRGKRZSA-N 1 0 281.400 1.170 20 70 CDIDRO Cc1ncsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160416189 527478475 /nfs/dbraw/zinc/47/84/75/527478475.db2.gz DWRASXNPYWAFAB-AOOOYVTPSA-N 1 0 251.355 1.418 20 70 CDIDRO CCC(=O)N1CCC[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159749408 528312945 /nfs/dbraw/zinc/31/29/45/528312945.db2.gz MQGCKQVXGJUMPE-ZDUSSCGKSA-N 1 0 295.427 1.413 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCCOC)CC1 ZINC000159637877 361755470 /nfs/dbraw/zinc/75/54/70/361755470.db2.gz JGVPFAJWHMCFAY-UHFFFAOYSA-N 1 0 257.378 1.150 20 70 CDIDRO CC(C)[C@H](C(=O)NCCCN1CCCCCC1=O)[NH+](C)C ZINC000159624886 361757087 /nfs/dbraw/zinc/75/70/87/361757087.db2.gz ZVQQABJSULRVJE-OAHLLOKOSA-N 1 0 297.443 1.482 20 70 CDIDRO COCC(C)(C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160288813 539115705 /nfs/dbraw/zinc/11/57/05/539115705.db2.gz WSKMLBAUDYRTNE-UHFFFAOYSA-N 1 0 277.368 1.403 20 70 CDIDRO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160841576 539116916 /nfs/dbraw/zinc/11/69/16/539116916.db2.gz WEHIHCUMGZRHSH-NHYWBVRUSA-N 1 0 294.370 1.533 20 70 CDIDRO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)[NH+](C)C ZINC000160818726 539116937 /nfs/dbraw/zinc/11/69/37/539116937.db2.gz OFTAFWXGMSSMEK-ZIAGYGMSSA-N 1 0 295.427 1.234 20 70 CDIDRO CC(=O)N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000160052645 362011278 /nfs/dbraw/zinc/01/12/78/362011278.db2.gz YCRAZCIONJXZOE-QLFBSQMISA-N 1 0 293.411 1.034 20 70 CDIDRO CC(C)C[C@@H]1COCCN1C(=O)CC[NH2+]C(C)C ZINC000159630020 342367688 /nfs/dbraw/zinc/36/76/88/342367688.db2.gz JHUMPSUBXUYTPL-CYBMUJFWSA-N 1 0 256.390 1.648 20 70 CDIDRO COc1ccc(C)cc1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000216785192 342439378 /nfs/dbraw/zinc/43/93/78/342439378.db2.gz UNCRIHLZNXRUAA-LBPRGKRZSA-N 1 0 262.353 1.366 20 70 CDIDRO O=C(Nc1ccc(Cl)c(F)c1)N1CC[NH2+]CC1 ZINC000218015284 342439527 /nfs/dbraw/zinc/43/95/27/342439527.db2.gz ZCZAAXCXVUYGKL-UHFFFAOYSA-N 1 0 257.696 1.916 20 70 CDIDRO CN(C(=O)Cc1noc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159883793 362378342 /nfs/dbraw/zinc/37/83/42/362378342.db2.gz MGXLBTUVWDRKDL-ZDUSSCGKSA-N 1 0 273.336 1.566 20 70 CDIDRO COc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1C ZINC000159949063 362380798 /nfs/dbraw/zinc/38/07/98/362380798.db2.gz BRFFCXRPXYASTJ-CYBMUJFWSA-N 1 0 298.408 1.361 20 70 CDIDRO CN(Cc1nc(-c2ccco2)no1)[C@@H](C[NH3+])C1CC1 ZINC000159988241 362385434 /nfs/dbraw/zinc/38/54/34/362385434.db2.gz BGVNEYICTDQWNC-JTQLQIEISA-N 1 0 262.313 1.499 20 70 CDIDRO CN(CC(=O)N(C)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159999517 362387036 /nfs/dbraw/zinc/38/70/36/362387036.db2.gz KQSBEKGAXSLZDC-AWEZNQCLSA-N 1 0 261.369 1.319 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000161385599 362916008 /nfs/dbraw/zinc/91/60/08/362916008.db2.gz DAOOKLMOYMRLGI-FZMZJTMJSA-N 1 0 292.427 1.426 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000159388271 358458941 /nfs/dbraw/zinc/45/89/41/358458941.db2.gz PBXJUHTXOKADAX-FDYHWXHSSA-N 1 0 256.390 1.477 20 70 CDIDRO CN(C)c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(F)c1 ZINC000159582693 363017617 /nfs/dbraw/zinc/01/76/17/363017617.db2.gz XGUILWQZVKVEMG-OAHLLOKOSA-N 1 0 293.386 1.962 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000159896371 188446538 /nfs/dbraw/zinc/44/65/38/188446538.db2.gz BGJGJDUPDRRGHV-NEPJUHHUSA-N 1 0 275.352 1.129 20 70 CDIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000160962582 188500171 /nfs/dbraw/zinc/50/01/71/188500171.db2.gz OAXAEEKPVHNMRG-GXTWGEPZSA-N 1 0 292.379 1.326 20 70 CDIDRO CN(C(=O)c1ccc2[nH]cnc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159779794 363298185 /nfs/dbraw/zinc/29/81/85/363298185.db2.gz KUKZDCLJPQYOBE-ZDUSSCGKSA-N 1 0 258.325 1.372 20 70 CDIDRO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000217743651 538504719 /nfs/dbraw/zinc/50/47/19/538504719.db2.gz ZSBMZNVBMPJVMZ-LSDHHAIUSA-N 1 0 274.412 1.294 20 70 CDIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCOC1 ZINC000159441257 237150130 /nfs/dbraw/zinc/15/01/30/237150130.db2.gz KDXNBBXLFGUWAO-CHWSQXEVSA-N 1 0 269.389 1.339 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000160130418 237170742 /nfs/dbraw/zinc/17/07/42/237170742.db2.gz LQQIEFMBFYIWHJ-SNVBAGLBSA-N 1 0 286.734 1.808 20 70 CDIDRO CCn1nc(C)c(NC(=O)C[C@H]2CCC[NH2+]2)c1C ZINC000160326515 237172747 /nfs/dbraw/zinc/17/27/47/237172747.db2.gz HPCRCIJUCOXJQI-LLVKDONJSA-N 1 0 250.346 1.600 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1 ZINC000160294781 237174970 /nfs/dbraw/zinc/17/49/70/237174970.db2.gz PPQAGXZLCDCCCH-CYBMUJFWSA-N 1 0 297.362 1.522 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971244 360216336 /nfs/dbraw/zinc/21/63/36/360216336.db2.gz JGXWHRFIYUTEJO-MFKMUULPSA-N 1 0 264.369 1.481 20 70 CDIDRO C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)C[NH+]1CCCCC1 ZINC000160705626 360822022 /nfs/dbraw/zinc/82/20/22/360822022.db2.gz FCZWDTHHDHGREE-ZBFHGGJFSA-N 1 0 297.443 1.665 20 70 CDIDRO COCCN(CCOc1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000159400581 361683425 /nfs/dbraw/zinc/68/34/25/361683425.db2.gz CIKOJUKUBPZJAE-NSHDSACASA-N 1 0 284.331 1.027 20 70 CDIDRO COCCCOc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000160373511 363836098 /nfs/dbraw/zinc/83/60/98/363836098.db2.gz ULBAQDIUESKZAU-OAHLLOKOSA-N 1 0 292.379 1.552 20 70 CDIDRO COC(=O)c1cc(C[N@H+](C)C[C@@H]2CCCO2)oc1C ZINC000159403397 364199392 /nfs/dbraw/zinc/19/93/92/364199392.db2.gz SBDSIWHKXFQOJV-NSHDSACASA-N 1 0 267.325 1.985 20 70 CDIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159805798 364266852 /nfs/dbraw/zinc/26/68/52/364266852.db2.gz LKJPRFJUEFFSIA-UHFFFAOYSA-N 1 0 292.379 1.791 20 70 CDIDRO CN(CC(=O)N(C)c1nccs1)C[C@H]1CCC[C@@H]1O ZINC000159808764 364268517 /nfs/dbraw/zinc/26/85/17/364268517.db2.gz XSXWMFLXRSLBES-MNOVXSKESA-N 1 0 283.397 1.199 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSC[C@@H]1CCCCO1 ZINC000160326889 364336496 /nfs/dbraw/zinc/33/64/96/364336496.db2.gz HOGFGZAMJXOYER-RYUDHWBXSA-N 1 0 272.414 1.238 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160050841 364299531 /nfs/dbraw/zinc/29/95/31/364299531.db2.gz KXHCGYMIARGMPQ-VIFPVBQESA-N 1 0 297.196 1.944 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160639367 364387441 /nfs/dbraw/zinc/38/74/41/364387441.db2.gz YKBZVDRCUIHHAO-OWCLPIDISA-N 1 0 287.407 1.966 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Sc1ccccc1 ZINC000161117944 364449138 /nfs/dbraw/zinc/44/91/38/364449138.db2.gz FWXMEFICUFMAIU-GMXVVIOVSA-N 1 0 280.393 1.006 20 70 CDIDRO CC(=O)N1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160463666 369758126 /nfs/dbraw/zinc/75/81/26/369758126.db2.gz OKTXXDGKEDBYKE-LSDHHAIUSA-N 1 0 295.427 1.091 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)oc1C ZINC000160310675 373912332 /nfs/dbraw/zinc/91/23/32/373912332.db2.gz DVPQVIGZLJXQLY-CYBMUJFWSA-N 1 0 280.368 1.473 20 70 CDIDRO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(F)c1 ZINC000161487325 375577147 /nfs/dbraw/zinc/57/71/47/375577147.db2.gz CMZNCRCQBXRLQS-BYCMXARLSA-N 1 0 292.354 1.724 20 70 CDIDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160305424 377056855 /nfs/dbraw/zinc/05/68/55/377056855.db2.gz HNROZBARDOZABK-WCQYABFASA-N 1 0 281.400 1.021 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160337565 377056892 /nfs/dbraw/zinc/05/68/92/377056892.db2.gz SLDKSSQBVDMWHS-CYBMUJFWSA-N 1 0 276.336 1.218 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)Cc1c(C)nn(C)c1C ZINC000160470883 377069476 /nfs/dbraw/zinc/06/94/76/377069476.db2.gz QRKUBQKJNOVSAF-UHFFFAOYSA-N 1 0 266.389 1.213 20 70 CDIDRO Cc1ccsc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160560369 377086850 /nfs/dbraw/zinc/08/68/50/377086850.db2.gz XACRNQBGCALLKF-UHFFFAOYSA-N 1 0 282.409 1.491 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(F)c1F ZINC000160728772 377095069 /nfs/dbraw/zinc/09/50/69/377095069.db2.gz UKJQUJYHTNDSSN-UHFFFAOYSA-N 1 0 298.333 1.399 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)Cn2ccnc2C)CC1 ZINC000161258013 377510736 /nfs/dbraw/zinc/51/07/36/377510736.db2.gz CTCGFKAJKCCIGB-JQRITLKVSA-N 1 0 292.427 1.865 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2cccnc2)C1 ZINC000160769776 532957170 /nfs/dbraw/zinc/95/71/70/532957170.db2.gz KFCAWISIPPNJGB-GFCCVEGCSA-N 1 0 263.341 1.061 20 70 CDIDRO CC[C@@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161188033 390956189 /nfs/dbraw/zinc/95/61/89/390956189.db2.gz TUWDOZQMQAMURI-CYBMUJFWSA-N 1 0 253.390 1.073 20 70 CDIDRO CC[C@H](C(=O)NC[C@H](O)c1ccccc1)[NH+](C)C ZINC000160041302 390977491 /nfs/dbraw/zinc/97/74/91/390977491.db2.gz RMBUYINMDCHDOG-OLZOCXBDSA-N 1 0 250.342 1.176 20 70 CDIDRO CN1CCc2ccc(NC(=O)C(C)(C)C[NH3+])cc2C1=O ZINC000160795441 391571006 /nfs/dbraw/zinc/57/10/06/391571006.db2.gz RDUCXCZTABORNV-UHFFFAOYSA-N 1 0 275.352 1.238 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc2O1)[C@@H](C[NH3+])C1CC1 ZINC000159784304 392491276 /nfs/dbraw/zinc/49/12/76/392491276.db2.gz PXNRDIXSTJBASM-SMDDNHRTSA-N 1 0 276.336 1.022 20 70 CDIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000160354334 392504468 /nfs/dbraw/zinc/50/44/68/392504468.db2.gz HBBGNTKVUHTXDN-UONOGXRCSA-N 1 0 268.401 1.650 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000217488079 140163588 /nfs/dbraw/zinc/16/35/88/140163588.db2.gz BCNJWDHIDRVFTI-CZXHOFHRSA-N 1 0 283.416 1.027 20 70 CDIDRO CCN(C(=O)CN(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000160058670 147707021 /nfs/dbraw/zinc/70/70/21/147707021.db2.gz WWKWNKUJTCTQAF-OAHLLOKOSA-N 1 0 275.396 1.709 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000159390443 287082873 /nfs/dbraw/zinc/08/28/73/287082873.db2.gz RNWGWMUFNNRTSW-JHJVBQTASA-N 1 0 276.380 1.665 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000159390717 274266495 /nfs/dbraw/zinc/26/64/95/274266495.db2.gz RNWGWMUFNNRTSW-UPJWGTAASA-N 1 0 276.380 1.665 20 70 CDIDRO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])CO2 ZINC000160285000 277959791 /nfs/dbraw/zinc/95/97/91/277959791.db2.gz MHXUBRFSQKZFLW-CHWSQXEVSA-N 1 0 290.363 1.196 20 70 CDIDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CC[NH3+] ZINC000161096178 279766915 /nfs/dbraw/zinc/76/69/15/279766915.db2.gz ZQAGPPJRVNDDGT-XPTSAGLGSA-N 1 0 250.317 1.914 20 70 CDIDRO Cc1cc(Br)oc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160255552 280312503 /nfs/dbraw/zinc/31/25/03/280312503.db2.gz OJVXSKMTTVGEGY-QMMMGPOBSA-N 1 0 287.157 1.914 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159577798 292762411 /nfs/dbraw/zinc/76/24/11/292762411.db2.gz WYFZMLNYVIMZOT-UHFFFAOYSA-N 1 0 265.401 1.960 20 70 CDIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000160202957 292779999 /nfs/dbraw/zinc/77/99/99/292779999.db2.gz ONMOGGYLTODCHM-KGLIPLIRSA-N 1 0 266.385 1.281 20 70 CDIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160605704 292791458 /nfs/dbraw/zinc/79/14/58/292791458.db2.gz JMQNHXBTTBNOHK-MCIONIFRSA-N 1 0 270.417 1.774 20 70 CDIDRO Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000161216427 482871228 /nfs/dbraw/zinc/87/12/28/482871228.db2.gz NIBBFFNQKZDIHO-NWDGAFQWSA-N 1 0 287.367 1.276 20 70 CDIDRO CCC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161481309 482879840 /nfs/dbraw/zinc/87/98/40/482879840.db2.gz RCAUAKMHDIQLJS-RFQIPJPRSA-N 1 0 295.427 1.410 20 70 CDIDRO CCCN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160907794 521663856 /nfs/dbraw/zinc/66/38/56/521663856.db2.gz CKAZNQHOOYOGFZ-ZDUSSCGKSA-N 1 0 283.416 1.417 20 70 CDIDRO [NH3+]CCCNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000160145579 534611445 /nfs/dbraw/zinc/61/14/45/534611445.db2.gz WEAFGPGKTWDHSD-UHFFFAOYSA-N 1 0 296.798 1.853 20 70 CDIDRO CC[C@H](C(=O)N[C@H](C)C(=O)OC(C)(C)C)[NH+](C)C ZINC000161067685 523794370 /nfs/dbraw/zinc/79/43/70/523794370.db2.gz WZKRNCGOZGMOMI-NXEZZACHSA-N 1 0 258.362 1.173 20 70 CDIDRO Cc1c(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cnn1C ZINC000161456269 525515448 /nfs/dbraw/zinc/51/54/48/525515448.db2.gz KGCDYOUCODQPOJ-LFAOLKIESA-N 1 0 288.395 1.438 20 70 CDIDRO O=C(Cc1ccc(F)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160663426 527230278 /nfs/dbraw/zinc/23/02/78/527230278.db2.gz OPMLDZVKRPDCHF-UHFFFAOYSA-N 1 0 294.370 1.189 20 70 CDIDRO CCOCCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000160075937 528659121 /nfs/dbraw/zinc/65/91/21/528659121.db2.gz CEWQPDLXABKTJR-UHFFFAOYSA-N 1 0 281.400 1.481 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CN(C)Cc1ccccc1 ZINC000160555267 528925514 /nfs/dbraw/zinc/92/55/14/528925514.db2.gz NKAMBRQZPSGIPG-UHFFFAOYSA-N 1 0 277.412 1.752 20 70 CDIDRO C[NH2+][C@@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159992053 536376381 /nfs/dbraw/zinc/37/63/81/536376381.db2.gz IVEWEBFWPWMIRS-LLVKDONJSA-N 1 0 264.325 1.218 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccccc2C)CCOC1 ZINC000160350267 342072934 /nfs/dbraw/zinc/07/29/34/342072934.db2.gz VQMRATQROFDHQL-HOCLYGCPSA-N 1 0 295.379 1.130 20 70 CDIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161126314 361877198 /nfs/dbraw/zinc/87/71/98/361877198.db2.gz QXNKRGCAOXLFGZ-YPMHNXCESA-N 1 0 280.343 1.851 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)CO)c1cccc(-n2cnnn2)c1 ZINC000160130159 539115405 /nfs/dbraw/zinc/11/54/05/539115405.db2.gz HWTVPHQDTZQUCU-LLVKDONJSA-N 1 0 275.356 1.331 20 70 CDIDRO CCOC[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160221933 362068071 /nfs/dbraw/zinc/06/80/71/362068071.db2.gz DBZYYSPPMIXAOH-ZDUSSCGKSA-N 1 0 291.395 1.701 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000159447558 362322126 /nfs/dbraw/zinc/32/21/26/362322126.db2.gz OJHOMEGTHZVGBQ-XHDPSFHLSA-N 1 0 272.348 1.991 20 70 CDIDRO [NH3+]CCCNC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000160072824 188454397 /nfs/dbraw/zinc/45/43/97/188454397.db2.gz DWRUZGIJJNEFLG-UHFFFAOYSA-N 1 0 291.326 1.878 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(-c2ccco2)on1 ZINC000160366670 188468080 /nfs/dbraw/zinc/46/80/80/188468080.db2.gz HRMKUFJGJYWUPJ-SECBINFHSA-N 1 0 261.281 1.498 20 70 CDIDRO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000160837232 188493583 /nfs/dbraw/zinc/49/35/83/188493583.db2.gz JBTSHVFOFIOWNL-RYUDHWBXSA-N 1 0 286.297 1.886 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(C)c(OC)c1 ZINC000161221124 188515719 /nfs/dbraw/zinc/51/57/19/188515719.db2.gz RZQKJRYUVYMURU-CQSZACIVSA-N 1 0 276.380 1.757 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160936621 356685305 /nfs/dbraw/zinc/68/53/05/356685305.db2.gz MNKXLWPJGKZLKD-ZETCQYMHSA-N 1 0 280.715 1.353 20 70 CDIDRO C[C@H](O)CC(C)(C)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000160950314 357542093 /nfs/dbraw/zinc/54/20/93/357542093.db2.gz XAACDJLSELLZRA-STQMWFEESA-N 1 0 284.444 1.926 20 70 CDIDRO CCCn1nccc1C[NH2+]CCC(=O)N[C@H](C)CC ZINC000160106978 482785055 /nfs/dbraw/zinc/78/50/55/482785055.db2.gz AQQMEDBJRAQDKT-GFCCVEGCSA-N 1 0 266.389 1.688 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000161169767 358790047 /nfs/dbraw/zinc/79/00/47/358790047.db2.gz ZYELEWUBVJPSET-IUODEOHRSA-N 1 0 280.343 1.580 20 70 CDIDRO [NH3+]C[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 ZINC000159429744 283523013 /nfs/dbraw/zinc/52/30/13/283523013.db2.gz HBFJNYAXQQKQSK-NSHDSACASA-N 1 0 274.286 1.865 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963843 360215010 /nfs/dbraw/zinc/21/50/10/360215010.db2.gz DDCMSENIYQJGKG-LSDHHAIUSA-N 1 0 294.395 1.751 20 70 CDIDRO c1ncn(C[C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000160302044 361397292 /nfs/dbraw/zinc/39/72/92/361397292.db2.gz MPLRJBNMYYSTMA-AWEZNQCLSA-N 1 0 296.378 1.838 20 70 CDIDRO COCCCOc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000160373651 363836119 /nfs/dbraw/zinc/83/61/19/363836119.db2.gz ULBAQDIUESKZAU-HNNXBMFYSA-N 1 0 292.379 1.552 20 70 CDIDRO COc1ccc(CN2CCNC(=O)C2)c2ccccc12 ZINC000160513427 363965483 /nfs/dbraw/zinc/96/54/83/363965483.db2.gz OJOZXHHMFIZIJP-UHFFFAOYSA-N 1 0 270.332 1.780 20 70 CDIDRO CC[C@H]([NH2+]CCO)c1ccccc1OCC(=O)N(C)C ZINC000159706490 364254749 /nfs/dbraw/zinc/25/47/49/364254749.db2.gz ZOVWCJUGSVFNQW-ZDUSSCGKSA-N 1 0 280.368 1.187 20 70 CDIDRO C[N@H+](CCn1ccnc1)C[C@H](O)COCc1ccccc1 ZINC000159818301 364270332 /nfs/dbraw/zinc/27/03/32/364270332.db2.gz HNIYUSBGVFZGES-INIZCTEOSA-N 1 0 289.379 1.393 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160226077 364321402 /nfs/dbraw/zinc/32/14/02/364321402.db2.gz KIMPJKDEBMZSLT-MRXNPFEDSA-N 1 0 290.407 1.880 20 70 CDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCO ZINC000159958722 364286618 /nfs/dbraw/zinc/28/66/18/364286618.db2.gz QAZNNEUKPPNAFN-HIFRSBDPSA-N 1 0 291.395 1.189 20 70 CDIDRO CC(C)Oc1cccc(CC(=O)NCCC[NH3+])c1 ZINC000160034112 364297552 /nfs/dbraw/zinc/29/75/52/364297552.db2.gz VFMKOHABQVOYQI-UHFFFAOYSA-N 1 0 250.342 1.481 20 70 CDIDRO O=C(NCC[NH+]1CCCCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160486680 364361801 /nfs/dbraw/zinc/36/18/01/364361801.db2.gz YZILHZIQWQSRLO-UHFFFAOYSA-N 1 0 299.378 1.687 20 70 CDIDRO Cc1ncsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160618266 364383215 /nfs/dbraw/zinc/38/32/15/364383215.db2.gz KCXUFTZYLXGWNV-LLVKDONJSA-N 1 0 283.397 1.028 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC000160768719 364407662 /nfs/dbraw/zinc/40/76/62/364407662.db2.gz MANCADTWXXKKES-AAEUAGOBSA-N 1 0 264.344 1.825 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000160667168 364392385 /nfs/dbraw/zinc/39/23/85/364392385.db2.gz XTWXYWIVBQLBKT-AWEZNQCLSA-N 1 0 284.363 1.235 20 70 CDIDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(OC)cc1F ZINC000161115058 364450133 /nfs/dbraw/zinc/45/01/33/364450133.db2.gz XGKGECHXZOTJCN-UHFFFAOYSA-N 1 0 298.358 1.915 20 70 CDIDRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[NH2+]CC1 ZINC000160861056 364420651 /nfs/dbraw/zinc/42/06/51/364420651.db2.gz HMUTXLJERBDOIS-VXGBXAGGSA-N 1 0 280.318 1.890 20 70 CDIDRO CO[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159789722 294171463 /nfs/dbraw/zinc/17/14/63/294171463.db2.gz VDSPSCMYTHTRFS-KBPBESRZSA-N 1 0 262.353 1.570 20 70 CDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCC[C@H]1O ZINC000161204137 367603261 /nfs/dbraw/zinc/60/32/61/367603261.db2.gz LUJQNFWJTSJGSI-ZIAGYGMSSA-N 1 0 296.411 1.051 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000160413882 369184327 /nfs/dbraw/zinc/18/43/27/369184327.db2.gz QATZRQSEVHPRDC-UONOGXRCSA-N 1 0 295.427 1.091 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000160841979 376147108 /nfs/dbraw/zinc/14/71/08/376147108.db2.gz PVKPNXUXSPULAV-UONOGXRCSA-N 1 0 262.353 1.632 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])NC(=O)C1CCCCC1 ZINC000160177464 377029006 /nfs/dbraw/zinc/02/90/06/377029006.db2.gz LPPPVZVOYVALMK-TZMCWYRMSA-N 1 0 295.427 1.411 20 70 CDIDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC000160845517 377120979 /nfs/dbraw/zinc/12/09/79/377120979.db2.gz AQGIFMGNMIGGMW-UONOGXRCSA-N 1 0 292.427 1.937 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000160203955 378342082 /nfs/dbraw/zinc/34/20/82/378342082.db2.gz BDRUMZAKXWFQPI-UKRRQHHQSA-N 1 0 290.363 1.418 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CSC[C@H]2CCCCO2)C1 ZINC000160718906 533030749 /nfs/dbraw/zinc/03/07/49/533030749.db2.gz FZERPFHVBCHCAP-NWDGAFQWSA-N 1 0 272.414 1.109 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC000160551387 533030840 /nfs/dbraw/zinc/03/08/40/533030840.db2.gz BYCQWXDAESFQAO-LBPRGKRZSA-N 1 0 266.316 1.415 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000160713225 533038324 /nfs/dbraw/zinc/03/83/24/533038324.db2.gz CPMFDDOLTJYWMR-JTQLQIEISA-N 1 0 288.376 1.639 20 70 CDIDRO Cc1ccc2nc(NC(=O)CN(C)C[C@@H](C)O)sc2c1 ZINC000159448669 390975458 /nfs/dbraw/zinc/97/54/58/390975458.db2.gz NXIBFNNAGPDHID-SNVBAGLBSA-N 1 0 293.392 1.856 20 70 CDIDRO Cn1cnc2cc(C(=O)NCC(C)(C)[NH+](C)C)cnc21 ZINC000160011332 147705998 /nfs/dbraw/zinc/70/59/98/147705998.db2.gz MWCHUKQSQAGOEC-UHFFFAOYSA-N 1 0 275.356 1.038 20 70 CDIDRO CO[C@H]1CCN(C(=O)C2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000161134697 286047452 /nfs/dbraw/zinc/04/74/52/286047452.db2.gz XTRBSPPFZFZMON-KGLIPLIRSA-N 1 0 268.401 1.922 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000159469509 276267188 /nfs/dbraw/zinc/26/71/88/276267188.db2.gz OKNPEJQPSGHNIX-UONOGXRCSA-N 1 0 268.401 1.936 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000160367115 277344337 /nfs/dbraw/zinc/34/43/37/277344337.db2.gz OFWBADVQLWCHJG-CQSZACIVSA-N 1 0 297.443 1.529 20 70 CDIDRO O=C(/C=C\c1ccc2c(c1)OCO2)NC[C@H]1CCC[NH2+]C1 ZINC000217463622 280088919 /nfs/dbraw/zinc/08/89/19/280088919.db2.gz FDXUGFCRZOCBEC-AGLBCWCQSA-N 1 0 288.347 1.544 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCC2 ZINC000159549916 482704833 /nfs/dbraw/zinc/70/48/33/482704833.db2.gz LMIGHYYNYRGZPQ-XJFOESAGSA-N 1 0 280.412 1.968 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160446979 482801512 /nfs/dbraw/zinc/80/15/12/482801512.db2.gz HWYBZKVELRDBRM-QLFBSQMISA-N 1 0 290.363 1.920 20 70 CDIDRO CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160932931 482844172 /nfs/dbraw/zinc/84/41/72/482844172.db2.gz UPIRRYNIINZQJO-QWRGUYRKSA-N 1 0 296.392 1.090 20 70 CDIDRO Cc1ccc(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161121241 482861693 /nfs/dbraw/zinc/86/16/93/482861693.db2.gz UTRKNQFPCVAISW-QWHCGFSZSA-N 1 0 260.337 1.564 20 70 CDIDRO CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161276871 482872829 /nfs/dbraw/zinc/87/28/29/482872829.db2.gz YARKQTYIYAYJPF-CHWSQXEVSA-N 1 0 283.416 1.411 20 70 CDIDRO Cc1c(C(=O)NCC(C)(C)[NH3+])nnn1-c1ccc(C)cc1 ZINC000160117679 533780567 /nfs/dbraw/zinc/78/05/67/533780567.db2.gz KCJPLRVLDMBQQJ-UHFFFAOYSA-N 1 0 287.367 1.351 20 70 CDIDRO C[NH+](C)C[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160400386 521879402 /nfs/dbraw/zinc/87/94/02/521879402.db2.gz QDMDVDNJBTYVSC-CYBMUJFWSA-N 1 0 258.369 1.718 20 70 CDIDRO O=C(CC1CC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160195788 534822475 /nfs/dbraw/zinc/82/24/75/534822475.db2.gz FEISTZJEBNJPRW-LSDHHAIUSA-N 1 0 280.412 1.671 20 70 CDIDRO Cc1ccccc1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160678029 525095001 /nfs/dbraw/zinc/09/50/01/525095001.db2.gz WAIVIWCGWBKXJU-UHFFFAOYSA-N 1 0 290.407 1.358 20 70 CDIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccoc1 ZINC000160743850 525607704 /nfs/dbraw/zinc/60/77/04/525607704.db2.gz CODARWZQLVPQMI-AAEUAGOBSA-N 1 0 288.351 1.859 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cnn(CC(F)(F)F)c1 ZINC000159701594 361798918 /nfs/dbraw/zinc/79/89/18/361798918.db2.gz UMBORKSYTZOZJE-QMMMGPOBSA-N 1 0 276.262 1.526 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508132 361871998 /nfs/dbraw/zinc/87/19/98/361871998.db2.gz YMKVJSNGJFXDTP-HZMBPMFUSA-N 1 0 296.798 1.959 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(OC)c(OC)cc1F ZINC000161180278 361910490 /nfs/dbraw/zinc/91/04/90/361910490.db2.gz JPOPJRIFOJJHFD-SNVBAGLBSA-N 1 0 296.342 1.667 20 70 CDIDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(-n2cnnn2)c1 ZINC000159760755 539114660 /nfs/dbraw/zinc/11/46/60/539114660.db2.gz FVLFCFFGHKCAPK-GFCCVEGCSA-N 1 0 297.366 1.289 20 70 CDIDRO CC(C)(C[NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000159632115 342367736 /nfs/dbraw/zinc/36/77/36/342367736.db2.gz JFENYUHTDJWCEM-UHFFFAOYSA-N 1 0 273.340 1.250 20 70 CDIDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869690 362376847 /nfs/dbraw/zinc/37/68/47/362376847.db2.gz LFQLSTIDYJOGKP-LPEHRKFASA-N 1 0 281.322 1.113 20 70 CDIDRO COc1ccccc1CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159865291 362377250 /nfs/dbraw/zinc/37/72/50/362377250.db2.gz UABGDCXZIWUITK-CYBMUJFWSA-N 1 0 262.353 1.433 20 70 CDIDRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160006880 362386342 /nfs/dbraw/zinc/38/63/42/362386342.db2.gz UKSGVEXPGVLSDN-BBRMVZONSA-N 1 0 289.423 1.875 20 70 CDIDRO COc1ccc(C)cc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160122961 362396064 /nfs/dbraw/zinc/39/60/64/362396064.db2.gz AXZIBIULWXGEKW-CQSZACIVSA-N 1 0 291.395 1.611 20 70 CDIDRO CO[C@@]1(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CCOC1 ZINC000160344971 362415518 /nfs/dbraw/zinc/41/55/18/362415518.db2.gz GQCSAPXFPFTEIN-UKRRQHHQSA-N 1 0 285.384 1.110 20 70 CDIDRO O=C(c1cccnc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159396727 188423957 /nfs/dbraw/zinc/42/39/57/188423957.db2.gz YJABPUFNGYYIDD-ZDUSSCGKSA-N 1 0 265.744 1.561 20 70 CDIDRO C[C@H](CNC(=O)[C@H](O)c1ccccc1)C[NH+]1CCCCC1 ZINC000160265899 188463371 /nfs/dbraw/zinc/46/33/71/188463371.db2.gz WXVLGOOZSZQKIC-GDBMZVCRSA-N 1 0 290.407 1.958 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)CC[C@@H]2CC[NH2+]C2)n1 ZINC000160806517 188492899 /nfs/dbraw/zinc/49/28/99/188492899.db2.gz KWNJQBSCKUBRCK-CQSZACIVSA-N 1 0 278.400 1.396 20 70 CDIDRO C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC[NH3+])CC1 ZINC000159871184 482754348 /nfs/dbraw/zinc/75/43/48/482754348.db2.gz AQPGGTXTDKIIRC-SECBINFHSA-N 1 0 281.322 1.114 20 70 CDIDRO Cc1cc(NC(=O)[C@H](C)[NH3+])ccc1OC1CCOCC1 ZINC000160938727 356685239 /nfs/dbraw/zinc/68/52/39/356685239.db2.gz PNSFOPZPKQSCSV-NSHDSACASA-N 1 0 278.352 1.839 20 70 CDIDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCOC(C)C ZINC000160214173 482788734 /nfs/dbraw/zinc/78/87/34/482788734.db2.gz MWNBCQFASDKOSC-AWEZNQCLSA-N 1 0 267.369 1.749 20 70 CDIDRO COC(=O)N[C@H](C(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000159476598 358611166 /nfs/dbraw/zinc/61/11/66/358611166.db2.gz WHMPAIMDVARGRM-NSHDSACASA-N 1 0 285.388 1.145 20 70 CDIDRO O=C(c1ncoc1[C@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160597705 237182522 /nfs/dbraw/zinc/18/25/22/237182522.db2.gz XERZQPGQSATXFK-GRYCIOLGSA-N 1 0 291.351 1.493 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160540186 237178798 /nfs/dbraw/zinc/17/87/98/237178798.db2.gz YZAMPTFWAJTZDC-SNVBAGLBSA-N 1 0 265.357 1.162 20 70 CDIDRO CN(C(=O)Cc1cccc(F)c1F)[C@@H](C[NH3+])C1CC1 ZINC000159853739 359725728 /nfs/dbraw/zinc/72/57/28/359725728.db2.gz CBJFAKZGKANFDQ-LBPRGKRZSA-N 1 0 268.307 1.703 20 70 CDIDRO CN(CC(=O)Nc1ccc(F)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000160092794 360573582 /nfs/dbraw/zinc/57/35/82/360573582.db2.gz XXLLWSJLVNGDFP-ZDUSSCGKSA-N 1 0 283.322 1.572 20 70 CDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160320396 363815645 /nfs/dbraw/zinc/81/56/45/363815645.db2.gz IAQPBYZMSCARSW-ZFWWWQNUSA-N 1 0 283.416 1.417 20 70 CDIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159386926 364196772 /nfs/dbraw/zinc/19/67/72/364196772.db2.gz RIXMUBDOJBKLLE-XCLFUZPHSA-N 1 0 298.452 1.653 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159501711 364221171 /nfs/dbraw/zinc/22/11/71/364221171.db2.gz RSVYHCYCKJWXAG-NSHDSACASA-N 1 0 259.313 1.538 20 70 CDIDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000160283142 364329238 /nfs/dbraw/zinc/32/92/38/364329238.db2.gz UGWPHBFCHJJHOH-GFCCVEGCSA-N 1 0 270.336 1.354 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000159890190 364277730 /nfs/dbraw/zinc/27/77/30/364277730.db2.gz IVBXVGXCLNYISB-UHFFFAOYSA-N 1 0 295.358 1.769 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000160079124 364304233 /nfs/dbraw/zinc/30/42/33/364304233.db2.gz BHIOMTUNUAAXRA-CQSZACIVSA-N 1 0 296.798 1.917 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCc1ccccc1OCC1CC1 ZINC000160100261 364305727 /nfs/dbraw/zinc/30/57/27/364305727.db2.gz MFSNRPJCKSLEHU-ZDUSSCGKSA-N 1 0 262.353 1.829 20 70 CDIDRO CCCOc1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160137190 364310114 /nfs/dbraw/zinc/31/01/14/364310114.db2.gz UVIWWRWKJWYJKQ-ZDUSSCGKSA-N 1 0 292.379 1.804 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000160194579 364316848 /nfs/dbraw/zinc/31/68/48/364316848.db2.gz GSZFKAHDTBDGOG-OAHLLOKOSA-N 1 0 292.379 1.722 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](O)c2ccsc2)C1 ZINC000160441941 364353906 /nfs/dbraw/zinc/35/39/06/364353906.db2.gz STGHEBJBYAMWCG-LSJOCFKGSA-N 1 0 254.355 1.025 20 70 CDIDRO CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160612248 364382699 /nfs/dbraw/zinc/38/26/99/364382699.db2.gz HONSEFMWNJKBDH-CYBMUJFWSA-N 1 0 294.399 1.041 20 70 CDIDRO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160698195 364397115 /nfs/dbraw/zinc/39/71/15/364397115.db2.gz FWRSONAGZOTDRA-GFCCVEGCSA-N 1 0 297.424 1.337 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1 ZINC000161330404 364479385 /nfs/dbraw/zinc/47/93/85/364479385.db2.gz VDCBAQVGHWWANF-NEPJUHHUSA-N 1 0 292.383 1.760 20 70 CDIDRO NC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218133714 365186569 /nfs/dbraw/zinc/18/65/69/365186569.db2.gz DGEFQOPCQMDJBT-CABCVRRESA-N 1 0 273.380 1.502 20 70 CDIDRO CCN(CC[NH2+]C[C@H](O)COc1ccccc1F)C1CC1 ZINC000218377608 373745276 /nfs/dbraw/zinc/74/52/76/373745276.db2.gz QYQPEBUBFWSHNA-AWEZNQCLSA-N 1 0 296.386 1.639 20 70 CDIDRO C[C@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1cccs1 ZINC000160134684 139908830 /nfs/dbraw/zinc/90/88/30/139908830.db2.gz FMPLHJBIJJFFEZ-JQWIXIFHSA-N 1 0 281.425 1.594 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000160842616 376148291 /nfs/dbraw/zinc/14/82/91/376148291.db2.gz POZJYQDKORJMPN-HOCLYGCPSA-N 1 0 288.391 1.895 20 70 CDIDRO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])C(=O)c1cccc(F)c1 ZINC000160185839 377031702 /nfs/dbraw/zinc/03/17/02/377031702.db2.gz CDXWKRLYDBOGKT-RISCZKNCSA-N 1 0 292.354 1.984 20 70 CDIDRO CCOC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160066481 376999033 /nfs/dbraw/zinc/99/90/33/376999033.db2.gz IFTHTMZFIRHMQL-OLZOCXBDSA-N 1 0 254.374 1.261 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160451680 377090029 /nfs/dbraw/zinc/09/00/29/377090029.db2.gz QTGOPJIOGICSEZ-ZFWWWQNUSA-N 1 0 290.363 1.935 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000161311520 377185656 /nfs/dbraw/zinc/18/56/56/377185656.db2.gz DTILDFHXBICGRB-NWDGAFQWSA-N 1 0 276.384 1.044 20 70 CDIDRO CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217754827 256853598 /nfs/dbraw/zinc/85/35/98/256853598.db2.gz TYQPVPKVUWPXNV-NJZAAPMLSA-N 1 0 292.379 1.374 20 70 CDIDRO Cc1ccc(OCC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000216774747 140163957 /nfs/dbraw/zinc/16/39/57/140163957.db2.gz AIWHQHYQMQEJLF-UHFFFAOYSA-N 1 0 262.353 1.760 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000160237811 147714375 /nfs/dbraw/zinc/71/43/75/147714375.db2.gz NTXUCYRREGCXCN-JFGNBEQYSA-N 1 0 266.291 1.628 20 70 CDIDRO CC1(C)C[C@H]([NH2+]Cc2nnc3n2CCCC3)CCO1 ZINC000217319576 424609648 /nfs/dbraw/zinc/60/96/48/424609648.db2.gz NKAFWEDRVDIRJL-LLVKDONJSA-N 1 0 264.373 1.662 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2C)[C@H](C[NH3+])C1 ZINC000161086689 277291663 /nfs/dbraw/zinc/29/16/63/277291663.db2.gz XIJQOFGMBLAHOG-QWHCGFSZSA-N 1 0 262.353 1.573 20 70 CDIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000161476892 277449388 /nfs/dbraw/zinc/44/93/88/277449388.db2.gz AZWOAQIRDHCZQU-GXTWGEPZSA-N 1 0 256.365 1.973 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161096287 278304493 /nfs/dbraw/zinc/30/44/93/278304493.db2.gz JFNJVOBFRSCYKY-JRKPZEMJSA-N 1 0 250.317 1.913 20 70 CDIDRO C[C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)O1 ZINC000159559650 292761876 /nfs/dbraw/zinc/76/18/76/292761876.db2.gz FWNBIHRQTWTUGR-SWLSCSKDSA-N 1 0 276.380 1.932 20 70 CDIDRO O=C1CCCN1C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159860518 292772135 /nfs/dbraw/zinc/77/21/35/292772135.db2.gz HAIPXALFXDHRBE-UHFFFAOYSA-N 1 0 298.390 1.921 20 70 CDIDRO COC[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161270149 292803328 /nfs/dbraw/zinc/80/33/28/292803328.db2.gz VFZISIQCEPJWMT-WPRPVWTQSA-N 1 0 255.280 1.657 20 70 CDIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccc(F)cc1)C1CC1 ZINC000218504622 329484555 /nfs/dbraw/zinc/48/45/55/329484555.db2.gz VUOWHUNQGUWQJI-OAHLLOKOSA-N 1 0 296.386 1.639 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000217843890 533715924 /nfs/dbraw/zinc/71/59/24/533715924.db2.gz HYMTVKIFCYHIPP-XZJROXQQSA-N 1 0 288.391 1.465 20 70 CDIDRO COc1ccc(OCC[NH2+]C[C@@]2(OC)CCOC2)cc1 ZINC000160268664 482792630 /nfs/dbraw/zinc/79/26/30/482792630.db2.gz VOWKJUTVUWHHHG-HNNXBMFYSA-N 1 0 281.352 1.469 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000160878286 482835502 /nfs/dbraw/zinc/83/55/02/482835502.db2.gz KIJIDYQSFBYVCP-NWDGAFQWSA-N 1 0 285.351 1.267 20 70 CDIDRO CCCCN(C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161476670 520406681 /nfs/dbraw/zinc/40/66/81/520406681.db2.gz SKDGKVSEZXXQOV-UHFFFAOYSA-N 1 0 269.433 1.755 20 70 CDIDRO COC(C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)OC ZINC000160597165 522530060 /nfs/dbraw/zinc/53/00/60/522530060.db2.gz PHAMZMOGBYWQEY-CYBMUJFWSA-N 1 0 298.427 1.576 20 70 CDIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC000161416799 523060695 /nfs/dbraw/zinc/06/06/95/523060695.db2.gz JLNPZCHXZIVGAE-NWDGAFQWSA-N 1 0 262.419 1.484 20 70 CDIDRO COc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160686395 523692620 /nfs/dbraw/zinc/69/26/20/523692620.db2.gz TYXMEWIQQBSBKO-UHFFFAOYSA-N 1 0 292.379 1.129 20 70 CDIDRO CC1CC[NH+](CCCNC(=O)[C@H]2CCCCO2)CC1 ZINC000161204513 528239916 /nfs/dbraw/zinc/23/99/16/528239916.db2.gz GSZGLHHOSDMVJE-CQSZACIVSA-N 1 0 268.401 1.794 20 70 CDIDRO CC(C)S(=O)(=O)CCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159552971 528295494 /nfs/dbraw/zinc/29/54/94/528295494.db2.gz UKPBMACAJXZNJK-STQMWFEESA-N 1 0 277.430 1.293 20 70 CDIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000216916836 529011536 /nfs/dbraw/zinc/01/15/36/529011536.db2.gz KSRWUNFBCHPBGZ-LSDHHAIUSA-N 1 0 297.443 1.521 20 70 CDIDRO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217938292 536898906 /nfs/dbraw/zinc/89/89/06/536898906.db2.gz ZLGOBLVITBOWLC-SGMGOOAPSA-N 1 0 263.385 1.909 20 70 CDIDRO CCC(CC)(CNC(=O)NC[C@H]1CCC[N@@H+]1C)C(=O)OC ZINC000159719390 282101073 /nfs/dbraw/zinc/10/10/73/282101073.db2.gz QJHVCUCWFAVJRT-GFCCVEGCSA-N 1 0 299.415 1.359 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614037 361751361 /nfs/dbraw/zinc/75/13/61/361751361.db2.gz FFEOSUDHKRDAIZ-YUMQZZPRSA-N 1 0 294.742 1.914 20 70 CDIDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159664888 361764838 /nfs/dbraw/zinc/76/48/38/361764838.db2.gz BTVJBCRPYNHECW-LSDHHAIUSA-N 1 0 295.427 1.585 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc21 ZINC000159728198 361814992 /nfs/dbraw/zinc/81/49/92/361814992.db2.gz YGDRHJLVVYCDIW-OCCSQVGLSA-N 1 0 278.421 1.913 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCOCC1)CC2 ZINC000160573886 282127246 /nfs/dbraw/zinc/12/72/46/282127246.db2.gz CMTJBOPRZDGDIZ-ZWNOBZJWSA-N 1 0 264.373 1.306 20 70 CDIDRO CCCNC(=O)[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159874092 361893806 /nfs/dbraw/zinc/89/38/06/361893806.db2.gz FVLDPZZYUMJLSI-AWEZNQCLSA-N 1 0 268.401 1.651 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(OC)c(OC)cc1F ZINC000161180144 361909492 /nfs/dbraw/zinc/90/94/92/361909492.db2.gz JPOPJRIFOJJHFD-JTQLQIEISA-N 1 0 296.342 1.667 20 70 CDIDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)(C)C)ns3)C[C@H]21 ZINC000159975130 361985711 /nfs/dbraw/zinc/98/57/11/361985711.db2.gz NICCRRBOIFFZCR-NXEZZACHSA-N 1 0 282.413 1.355 20 70 CDIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161076117 539117183 /nfs/dbraw/zinc/11/71/83/539117183.db2.gz CIJCXIHBXXYONJ-UHFFFAOYSA-N 1 0 255.383 1.943 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]c2ncccc12 ZINC000161264982 362357421 /nfs/dbraw/zinc/35/74/21/362357421.db2.gz HKERCQHPIGAPOF-GFCCVEGCSA-N 1 0 272.352 1.316 20 70 CDIDRO [NH3+]C[C@H]1CN(c2ccncc2Br)CCO1 ZINC000159794123 362370917 /nfs/dbraw/zinc/37/09/17/362370917.db2.gz LDPBFVBXLRVPNH-QMMMGPOBSA-N 1 0 272.146 1.008 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)C=Cc2c[nH]cn2)CC1 ZINC000218099539 344860047 /nfs/dbraw/zinc/86/00/47/344860047.db2.gz OUWMOMJMWFWVAF-ONEGZZNKSA-N 1 0 262.357 1.412 20 70 CDIDRO C[N@@H+](Cc1cc(=O)n2ccccc2n1)C[C@H]1CCC[C@@H]1O ZINC000159764751 362514996 /nfs/dbraw/zinc/51/49/96/362514996.db2.gz FLZQFHGKQGNREQ-OCCSQVGLSA-N 1 0 287.363 1.287 20 70 CDIDRO COc1ccccc1[C@H](N)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000160948856 362565909 /nfs/dbraw/zinc/56/59/09/362565909.db2.gz GYGGJQWYZUCJJI-RISCZKNCSA-N 1 0 294.395 1.608 20 70 CDIDRO CCCCN(CCOC)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160685302 346194916 /nfs/dbraw/zinc/19/49/16/346194916.db2.gz OBOZBFRJNSGMKL-OAHLLOKOSA-N 1 0 297.443 1.929 20 70 CDIDRO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161213345 362690348 /nfs/dbraw/zinc/69/03/48/362690348.db2.gz YIRIIRAYJDJGKO-UHFFFAOYSA-N 1 0 276.380 1.492 20 70 CDIDRO C[C@@H](Oc1cccnc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159683109 188437606 /nfs/dbraw/zinc/43/76/06/188437606.db2.gz MGIXTRAHNIZKCQ-GFCCVEGCSA-N 1 0 277.368 1.627 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000160189241 188459309 /nfs/dbraw/zinc/45/93/09/188459309.db2.gz UYFSVTGYNXWPIR-LLVKDONJSA-N 1 0 284.306 1.683 20 70 CDIDRO COc1cc(F)c(C(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000161421664 188526761 /nfs/dbraw/zinc/52/67/61/188526761.db2.gz VTBDLKSPPIYGFC-UHFFFAOYSA-N 1 0 298.358 1.913 20 70 CDIDRO CCOCC[NH+]1CCN(Cc2ccnc(Cl)c2)CC1 ZINC000216932548 358970264 /nfs/dbraw/zinc/97/02/64/358970264.db2.gz YFXCDXYATCZCBC-UHFFFAOYSA-N 1 0 283.803 1.889 20 70 CDIDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(O)CCSC2)c1 ZINC000159401981 364199657 /nfs/dbraw/zinc/19/96/57/364199657.db2.gz STHVMXMSLXKFKM-HNNXBMFYSA-N 1 0 294.420 1.863 20 70 CDIDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159472535 364213552 /nfs/dbraw/zinc/21/35/52/364213552.db2.gz QQUDYYXXMFOTMM-MNOVXSKESA-N 1 0 268.332 1.774 20 70 CDIDRO CCCC[NH+]1CCC(NC(=O)c2ccc(OC)nn2)CC1 ZINC000159626979 364243537 /nfs/dbraw/zinc/24/35/37/364243537.db2.gz GWIOMLRIWODJCZ-UHFFFAOYSA-N 1 0 292.383 1.480 20 70 CDIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccccc1 ZINC000159704921 364254344 /nfs/dbraw/zinc/25/43/44/364254344.db2.gz VGIRRFUPTAIHPX-IHRRRGAJSA-N 1 0 262.353 1.306 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccnc(Cl)c1 ZINC000160374285 364343141 /nfs/dbraw/zinc/34/31/41/364343141.db2.gz KNJSKNFMDYVEGQ-GFCCVEGCSA-N 1 0 297.786 1.312 20 70 CDIDRO C[C@H](CNC(=O)[C@@H](O)c1ccccc1)C[NH+]1CCCCC1 ZINC000160263641 364325858 /nfs/dbraw/zinc/32/58/58/364325858.db2.gz WXVLGOOZSZQKIC-ZBFHGGJFSA-N 1 0 290.407 1.958 20 70 CDIDRO C/C=C/C=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160284461 364329017 /nfs/dbraw/zinc/32/90/17/364329017.db2.gz KUPCLHWGRQTOMN-SHRLJSFUSA-N 1 0 252.358 1.082 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@@H](C)C[NH+]2CCCC2)cnn1C ZINC000160316933 364334450 /nfs/dbraw/zinc/33/44/50/364334450.db2.gz GGIAYDHBRZJNFQ-KTRBRXNASA-N 1 0 290.411 1.590 20 70 CDIDRO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000160321956 364335304 /nfs/dbraw/zinc/33/53/04/364335304.db2.gz RIZWRJSPQUTHEP-WDEREUQCSA-N 1 0 250.317 1.879 20 70 CDIDRO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000160107916 364306680 /nfs/dbraw/zinc/30/66/80/364306680.db2.gz KLHPOGFJTNBKNR-LLVKDONJSA-N 1 0 279.359 1.573 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CCC[C@@H]3C[NH3+])cc12 ZINC000160142897 364310480 /nfs/dbraw/zinc/31/04/80/364310480.db2.gz XTWSBGKSJQMJRC-SNVBAGLBSA-N 1 0 274.324 1.349 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2F)C1 ZINC000160644954 364388452 /nfs/dbraw/zinc/38/84/52/364388452.db2.gz XZNVZOKGUUCTIM-SNVBAGLBSA-N 1 0 252.289 1.025 20 70 CDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](C)C1 ZINC000161284793 364474985 /nfs/dbraw/zinc/47/49/85/364474985.db2.gz ZKTCLLZIPKBTMX-AAEUAGOBSA-N 1 0 287.367 1.188 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161453194 364495456 /nfs/dbraw/zinc/49/54/56/364495456.db2.gz XHTBXJXVKPXPPS-JSGCOSHPSA-N 1 0 292.354 1.984 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Oc1ccc(Cl)cc1 ZINC000161138972 367250394 /nfs/dbraw/zinc/25/03/94/367250394.db2.gz RVKXREJEOICMES-QWRGUYRKSA-N 1 0 282.771 1.833 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC000160556804 533031406 /nfs/dbraw/zinc/03/14/06/533031406.db2.gz QLFZRRMVTOXBBM-AWEZNQCLSA-N 1 0 275.352 1.008 20 70 CDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000159566820 390940247 /nfs/dbraw/zinc/94/02/47/390940247.db2.gz OSOKPQCNDZYKKN-GJZGRUSLSA-N 1 0 283.460 1.667 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159836714 391639921 /nfs/dbraw/zinc/63/99/21/391639921.db2.gz XPRIDRFWKZHZEQ-OPQQBVKSSA-N 1 0 282.771 1.976 20 70 CDIDRO Nc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159774251 139905501 /nfs/dbraw/zinc/90/55/01/139905501.db2.gz RECRXPMTIRNFAM-UHFFFAOYSA-N 1 0 273.380 1.873 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000159931955 275551757 /nfs/dbraw/zinc/55/17/57/275551757.db2.gz QFRSMRHZOMVUCA-JTQLQIEISA-N 1 0 282.771 1.745 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CC(C)(C)OC)CC1 ZINC000159912883 279285912 /nfs/dbraw/zinc/28/59/12/279285912.db2.gz OVMDZEYALLMGIY-ZDUSSCGKSA-N 1 0 285.432 1.927 20 70 CDIDRO C[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000161210734 292801835 /nfs/dbraw/zinc/80/18/35/292801835.db2.gz SIWKWSURBAEUBH-GOEBONIOSA-N 1 0 297.443 1.663 20 70 CDIDRO CC[C@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263853 292803158 /nfs/dbraw/zinc/80/31/58/292803158.db2.gz ZVGNILIVQRDXDI-VHSXEESVSA-N 1 0 255.280 1.393 20 70 CDIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccccc1F)C1CC1 ZINC000218377553 329469762 /nfs/dbraw/zinc/46/97/62/329469762.db2.gz QYQPEBUBFWSHNA-CQSZACIVSA-N 1 0 296.386 1.639 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000161261234 482871222 /nfs/dbraw/zinc/87/12/22/482871222.db2.gz NQGRARVNJDUQKJ-CHWSQXEVSA-N 1 0 272.352 1.422 20 70 CDIDRO CNC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161444323 482878046 /nfs/dbraw/zinc/87/80/46/482878046.db2.gz COQNXVXCXZVEPA-STQMWFEESA-N 1 0 275.352 1.046 20 70 CDIDRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000161478684 482879948 /nfs/dbraw/zinc/87/99/48/482879948.db2.gz WZPXKORYALEKGP-LBPRGKRZSA-N 1 0 292.470 1.097 20 70 CDIDRO CC[C@H](C)[C@@H](O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161473322 521878498 /nfs/dbraw/zinc/87/84/98/521878498.db2.gz KEQUDCGCPDREJT-RSUZKEPVSA-N 1 0 256.390 1.430 20 70 CDIDRO CC[C@H](C)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)on1 ZINC000161313876 522031334 /nfs/dbraw/zinc/03/13/34/522031334.db2.gz AJTXDMGIEUVHRN-WDEREUQCSA-N 1 0 265.357 1.870 20 70 CDIDRO COC(=O)[C@@H]1C[C@@H](OC)CN1CCC[NH+]1CCCCC1 ZINC000161355961 523767426 /nfs/dbraw/zinc/76/74/26/523767426.db2.gz PXDMLWVJOIZLIU-KGLIPLIRSA-N 1 0 284.400 1.125 20 70 CDIDRO CC1(C)[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@H]2CCO[C@@H]21 ZINC000159546941 361735338 /nfs/dbraw/zinc/73/53/38/361735338.db2.gz RBYKNKWBCMLMLO-YGNMPJRFSA-N 1 0 252.358 1.058 20 70 CDIDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000160359257 539036381 /nfs/dbraw/zinc/03/63/81/539036381.db2.gz SVVXKIHNUYIOIS-GHMZBOCLSA-N 1 0 250.317 1.879 20 70 CDIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1nncn1Cc1ccccc1 ZINC000159632625 342367705 /nfs/dbraw/zinc/36/77/05/342367705.db2.gz MPHWCSAAIHJUMV-GFCCVEGCSA-N 1 0 287.367 1.638 20 70 CDIDRO CN(C(=O)c1cccc2c1OCCO2)[C@H](C[NH3+])C1CC1 ZINC000159885380 362378110 /nfs/dbraw/zinc/37/81/10/362378110.db2.gz VWZGJRSGDMECDC-GFCCVEGCSA-N 1 0 276.336 1.267 20 70 CDIDRO Brc1cnccc1NC[C@@H]1C[NH2+]CCO1 ZINC000159925703 362380339 /nfs/dbraw/zinc/38/03/39/362380339.db2.gz RGUMCLCNNZNPTN-QMMMGPOBSA-N 1 0 272.146 1.244 20 70 CDIDRO COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985258 362384563 /nfs/dbraw/zinc/38/45/63/362384563.db2.gz DIPCHGOTTBCWBC-YPMHNXCESA-N 1 0 292.379 1.983 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(C2CC2)n1 ZINC000161199217 529990287 /nfs/dbraw/zinc/99/02/87/529990287.db2.gz RBRSCSOAQBGNLT-JTQLQIEISA-N 1 0 265.382 1.845 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000159946033 362771127 /nfs/dbraw/zinc/77/11/27/362771127.db2.gz AXSHIHJBBFCREW-GFCCVEGCSA-N 1 0 271.430 1.619 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC000159573847 362927609 /nfs/dbraw/zinc/92/76/09/362927609.db2.gz AIFMWHDDWNXXDG-CYBMUJFWSA-N 1 0 268.401 1.794 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000160238201 188461280 /nfs/dbraw/zinc/46/12/80/188461280.db2.gz ZGGGNHFRYOBBAG-SNVBAGLBSA-N 1 0 289.162 1.932 20 70 CDIDRO COC(=O)c1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c[nH]1 ZINC000160593925 188481957 /nfs/dbraw/zinc/48/19/57/188481957.db2.gz BTRPKRYXZSQQTJ-LLVKDONJSA-N 1 0 266.341 1.849 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](O)c2ccsc2)C1 ZINC000160441552 355901414 /nfs/dbraw/zinc/90/14/14/355901414.db2.gz STGHEBJBYAMWCG-DVVUODLYSA-N 1 0 254.355 1.025 20 70 CDIDRO CCC[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)C(C)C ZINC000160007462 363571092 /nfs/dbraw/zinc/57/10/92/363571092.db2.gz ZXYNQWMWTBNJDR-OAHLLOKOSA-N 1 0 284.444 1.879 20 70 CDIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000160199153 482788455 /nfs/dbraw/zinc/78/84/55/482788455.db2.gz HWKFCZXBWAWNQF-ZDUSSCGKSA-N 1 0 271.332 1.580 20 70 CDIDRO CCn1nc(C(C)C)cc1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160797342 237184798 /nfs/dbraw/zinc/18/47/98/237184798.db2.gz FKMRPUNEUMEARA-NSHDSACASA-N 1 0 264.373 1.460 20 70 CDIDRO [NH3+]CCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160177103 237168106 /nfs/dbraw/zinc/16/81/06/237168106.db2.gz UCCOYLJPUOCKAE-UHFFFAOYSA-N 1 0 279.315 1.031 20 70 CDIDRO Cc1ccc(/C=C/C(=O)N2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000159376388 364194974 /nfs/dbraw/zinc/19/49/74/364194974.db2.gz FSELBGOAYWUPKR-RGDDUWESSA-N 1 0 260.337 1.813 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000159392440 364198187 /nfs/dbraw/zinc/19/81/87/364198187.db2.gz QKMFBABITMLWHX-STQMWFEESA-N 1 0 264.369 1.346 20 70 CDIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCO ZINC000159673482 364249261 /nfs/dbraw/zinc/24/92/61/364249261.db2.gz QKUUMHFKUGOEGA-LLVKDONJSA-N 1 0 284.787 1.659 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159823298 364270281 /nfs/dbraw/zinc/27/02/81/364270281.db2.gz VGJHJARPRCRQRF-DOMZBBRYSA-N 1 0 260.381 1.979 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000159927530 364281492 /nfs/dbraw/zinc/28/14/92/364281492.db2.gz ZCQIICNDZSXYSC-UHFFFAOYSA-N 1 0 293.415 1.274 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000159965220 364287212 /nfs/dbraw/zinc/28/72/12/364287212.db2.gz SKUBGGVXCIWMGE-KWQFWETISA-N 1 0 284.331 1.757 20 70 CDIDRO CCc1ccc(N2C[C@H](C(=O)NCCC[NH3+])CC2=O)cc1 ZINC000160071921 364302265 /nfs/dbraw/zinc/30/22/65/364302265.db2.gz KUFPCPKEMAPGQU-CYBMUJFWSA-N 1 0 289.379 1.067 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000160203024 364318192 /nfs/dbraw/zinc/31/81/92/364318192.db2.gz UTUFBVXPUJDFRP-CQSZACIVSA-N 1 0 294.395 1.954 20 70 CDIDRO C[NH2+]CC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160448709 364353727 /nfs/dbraw/zinc/35/37/27/364353727.db2.gz GQQKRRBHDMTQEG-GFCCVEGCSA-N 1 0 250.298 1.012 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CC[NH2+]C1 ZINC000160452083 364353984 /nfs/dbraw/zinc/35/39/84/364353984.db2.gz AASVHGNONXKNOX-SMDDNHRTSA-N 1 0 276.336 1.402 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)CC2 ZINC000160506846 364364468 /nfs/dbraw/zinc/36/44/68/364364468.db2.gz UFUHEMPSMRSQKJ-RNCFNFMXSA-N 1 0 275.331 1.786 20 70 CDIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000160542409 364370947 /nfs/dbraw/zinc/37/09/47/364370947.db2.gz ZLRBKUUBRYIHMU-CHWSQXEVSA-N 1 0 296.436 1.815 20 70 CDIDRO [NH3+]CCCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160400156 364345190 /nfs/dbraw/zinc/34/51/90/364345190.db2.gz IGJRVDOCRIEGQA-ZDUSSCGKSA-N 1 0 264.344 1.956 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NOCc2cccnc2)CC1 ZINC000161011380 364438208 /nfs/dbraw/zinc/43/82/08/364438208.db2.gz HBZDKONSXYRGTJ-UHFFFAOYSA-N 1 0 278.356 1.297 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160926501 364429466 /nfs/dbraw/zinc/42/94/66/364429466.db2.gz GZZWBCDEYSXONE-OCCSQVGLSA-N 1 0 289.379 1.072 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(OC)cc1 ZINC000161244100 364469152 /nfs/dbraw/zinc/46/91/52/364469152.db2.gz FZTSPNSKSZAUJS-GFCCVEGCSA-N 1 0 278.352 1.284 20 70 CDIDRO C[C@@]1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161365790 364483849 /nfs/dbraw/zinc/48/38/49/364483849.db2.gz BXSDUXZLCFKMJD-UKRRQHHQSA-N 1 0 296.798 1.879 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000161435634 373730098 /nfs/dbraw/zinc/73/00/98/373730098.db2.gz OTPMJWLMDNKGJW-UONOGXRCSA-N 1 0 284.363 1.872 20 70 CDIDRO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160216968 377041140 /nfs/dbraw/zinc/04/11/40/377041140.db2.gz PAPURXZISIBDPH-SNVBAGLBSA-N 1 0 291.380 1.025 20 70 CDIDRO Cc1cnn(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000160290669 377043647 /nfs/dbraw/zinc/04/36/47/377043647.db2.gz SNQVEOHJETVDEX-AWEZNQCLSA-N 1 0 293.415 1.173 20 70 CDIDRO Cc1ccoc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160672902 377100301 /nfs/dbraw/zinc/10/03/01/377100301.db2.gz QMDUJBLOLMVCKN-UHFFFAOYSA-N 1 0 266.341 1.022 20 70 CDIDRO C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160287735 390978626 /nfs/dbraw/zinc/97/86/26/390978626.db2.gz OQXWCUZQDOAUQG-RISCZKNCSA-N 1 0 264.344 1.954 20 70 CDIDRO CC(C)COCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160507539 392506250 /nfs/dbraw/zinc/50/62/50/392506250.db2.gz YIZXEJJATZRJKD-BETUJISGSA-N 1 0 254.374 1.402 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)[NH3+])[C@H](C)CO1 ZINC000161468122 392723155 /nfs/dbraw/zinc/72/31/55/392723155.db2.gz PLRGZSFEYXQAFO-BZPMIXESSA-N 1 0 262.353 1.631 20 70 CDIDRO Cc1ccc([C@H]2CSCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000160770210 292274902 /nfs/dbraw/zinc/27/49/02/292274902.db2.gz TWVVWORUAFJEAV-WCQYABFASA-N 1 0 264.394 1.959 20 70 CDIDRO COCCN(CC[NH2+][C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000218140101 263032546 /nfs/dbraw/zinc/03/25/46/263032546.db2.gz NQUZQPYADQZRIQ-GFCCVEGCSA-N 1 0 288.388 1.248 20 70 CDIDRO Brc1cnccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000159914574 275377568 /nfs/dbraw/zinc/37/75/68/275377568.db2.gz UKHFXNWOWASTEW-DTORHVGOSA-N 1 0 268.158 1.500 20 70 CDIDRO CN(CC(=O)N(C)C1CCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000160026133 276818305 /nfs/dbraw/zinc/81/83/05/276818305.db2.gz WAOLGKMFVMKMMV-AWEZNQCLSA-N 1 0 267.417 1.447 20 70 CDIDRO CC(C)CCO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160467996 278772203 /nfs/dbraw/zinc/77/22/03/278772203.db2.gz DEMXZXAMRGZOJY-MELADBBJSA-N 1 0 268.401 1.791 20 70 CDIDRO COc1ccc(/C=C\C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000216997625 280088354 /nfs/dbraw/zinc/08/83/54/280088354.db2.gz MGUQIIXOIOLTPI-PIZKADEWSA-N 1 0 262.353 1.808 20 70 CDIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000160825910 281291216 /nfs/dbraw/zinc/29/12/16/281291216.db2.gz WOBMAWLJHVYZKN-HIFRSBDPSA-N 1 0 270.417 1.632 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c12 ZINC000160910258 482839925 /nfs/dbraw/zinc/83/99/25/482839925.db2.gz SRPYYBLSKBPCPT-WDEREUQCSA-N 1 0 288.351 1.839 20 70 CDIDRO CCCNC(=O)CCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161056317 482856858 /nfs/dbraw/zinc/85/68/58/482856858.db2.gz HKDIHECBSBFJTD-NEPJUHHUSA-N 1 0 269.389 1.069 20 70 CDIDRO COC[C@@H](NC(=O)[C@@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000161144728 482864346 /nfs/dbraw/zinc/86/43/46/482864346.db2.gz VSZRJYWMTMKOJR-LDYMZIIASA-N 1 0 290.285 1.856 20 70 CDIDRO CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161290802 482872237 /nfs/dbraw/zinc/87/22/37/482872237.db2.gz LOXBPINGZYYKDQ-BFHYXJOUSA-N 1 0 295.427 1.554 20 70 CDIDRO COc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1OC ZINC000161396447 482876078 /nfs/dbraw/zinc/87/60/78/482876078.db2.gz SJBAVQSFIAHCCN-WDEREUQCSA-N 1 0 278.352 1.704 20 70 CDIDRO CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160882392 523049863 /nfs/dbraw/zinc/04/98/63/523049863.db2.gz PFIGXFRLISGRTM-HIFRSBDPSA-N 1 0 295.427 1.824 20 70 CDIDRO CCc1ccc(CC(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000161302543 523908299 /nfs/dbraw/zinc/90/82/99/523908299.db2.gz VPJVUDMMRVJVOG-OAHLLOKOSA-N 1 0 260.381 1.859 20 70 CDIDRO Cc1nn(C)c(C)c1C[N@H+](C)CCOCC1CC1 ZINC000160095138 534817259 /nfs/dbraw/zinc/81/72/59/534817259.db2.gz RHXYQKURGSBXTK-UHFFFAOYSA-N 1 0 251.374 1.895 20 70 CDIDRO Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160521403 527549564 /nfs/dbraw/zinc/54/95/64/527549564.db2.gz SEBYAXCACYIORY-TXEJJXNPSA-N 1 0 290.411 1.684 20 70 CDIDRO CC(C)n1ccnc1CN1CC[NH+](CC2CC2)CC1 ZINC000160815839 528606136 /nfs/dbraw/zinc/60/61/36/528606136.db2.gz DOOULBYGLGIWOF-UHFFFAOYSA-N 1 0 262.401 1.992 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000159884925 538846628 /nfs/dbraw/zinc/84/66/28/538846628.db2.gz SGUMKWAUFKHKFD-AWEZNQCLSA-N 1 0 299.436 1.657 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CC2CCSCC2)[C@H](C[NH3+])C1 ZINC000161064948 342073075 /nfs/dbraw/zinc/07/30/75/342073075.db2.gz CFNWIKVNTCZEFS-QWHCGFSZSA-N 1 0 286.441 1.484 20 70 CDIDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157303 361900822 /nfs/dbraw/zinc/90/08/22/361900822.db2.gz YVDOKBGUILWRHW-ZOWXZIJZSA-N 1 0 294.395 1.952 20 70 CDIDRO O=S(=O)(c1c[nH]cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160107739 362027454 /nfs/dbraw/zinc/02/74/54/362027454.db2.gz HYKVKYVCEKOBST-LBPRGKRZSA-N 1 0 298.412 1.049 20 70 CDIDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000160821172 362181985 /nfs/dbraw/zinc/18/19/85/362181985.db2.gz YZIWVAIUFJEZOG-AAEUAGOBSA-N 1 0 288.351 1.778 20 70 CDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cccc1 ZINC000159412057 362319877 /nfs/dbraw/zinc/31/98/77/362319877.db2.gz VZRQLDFKIMACLG-OAHLLOKOSA-N 1 0 293.411 1.495 20 70 CDIDRO COc1ccccc1OCC[NH2+]C[C@]1(OC)CCOC1 ZINC000160325858 362413565 /nfs/dbraw/zinc/41/35/65/362413565.db2.gz PBFHIEDRBIUFJW-OAHLLOKOSA-N 1 0 281.352 1.469 20 70 CDIDRO CC[C@](C)(O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160919659 362547388 /nfs/dbraw/zinc/54/73/88/362547388.db2.gz ZAAJLZBCVSHDQI-ZBFHGGJFSA-N 1 0 299.459 1.957 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCc1cc(C(C)C)no1 ZINC000160150217 345607534 /nfs/dbraw/zinc/60/75/34/345607534.db2.gz WIRTXIIWRLZKQY-JTQLQIEISA-N 1 0 271.386 1.495 20 70 CDIDRO Cn1cnnc1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000160830738 346637396 /nfs/dbraw/zinc/63/73/96/346637396.db2.gz KZKLMZMZLKXYLE-UHFFFAOYSA-N 1 0 265.405 1.369 20 70 CDIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(C)(O)CC2)cc1 ZINC000161250873 362919092 /nfs/dbraw/zinc/91/90/92/362919092.db2.gz KPWOUKNEJLKVIU-UHFFFAOYSA-N 1 0 276.380 1.735 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000160104644 188456428 /nfs/dbraw/zinc/45/64/28/188456428.db2.gz KZBFTSVLMUTKCG-SNVBAGLBSA-N 1 0 295.408 1.206 20 70 CDIDRO [NH3+]CCCNC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000159999198 188449733 /nfs/dbraw/zinc/44/97/33/188449733.db2.gz VHSQYOPVWYTURO-SNVBAGLBSA-N 1 0 268.744 1.356 20 70 CDIDRO Cc1c(/C=C/C(=O)N2CC[NH+](CC3CC3)CC2)cnn1C ZINC000160427993 188472293 /nfs/dbraw/zinc/47/22/93/188472293.db2.gz VDFBIFFFNIKLSZ-AATRIKPKSA-N 1 0 288.395 1.296 20 70 CDIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC(C)(C)O ZINC000160644375 188484435 /nfs/dbraw/zinc/48/44/35/188484435.db2.gz FWBUVIZTJOWYHF-LBPRGKRZSA-N 1 0 264.369 1.789 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)C[NH2+]CC2CC2)c1 ZINC000161130556 188510537 /nfs/dbraw/zinc/51/05/37/188510537.db2.gz RBDBMITWCCFJSI-LBPRGKRZSA-N 1 0 292.379 1.578 20 70 CDIDRO CCN(C(=O)[C@@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000161353912 188523172 /nfs/dbraw/zinc/52/31/72/188523172.db2.gz ACMLHQXZAAFUOV-SNVBAGLBSA-N 1 0 253.371 1.804 20 70 CDIDRO C[C@]1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161365659 188524023 /nfs/dbraw/zinc/52/40/23/188524023.db2.gz BXSDUXZLCFKMJD-HIFRSBDPSA-N 1 0 296.798 1.879 20 70 CDIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000159413928 358505748 /nfs/dbraw/zinc/50/57/48/358505748.db2.gz IUIOSMZZHDZESL-CYBMUJFWSA-N 1 0 296.440 1.811 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC000160368683 283326404 /nfs/dbraw/zinc/32/64/04/283326404.db2.gz QRRXKOQAUWOARR-CQSZACIVSA-N 1 0 286.416 1.372 20 70 CDIDRO COC(CN1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000161197451 358793834 /nfs/dbraw/zinc/79/38/34/358793834.db2.gz PDUVLFNAMFFIBG-ZDUSSCGKSA-N 1 0 256.390 1.556 20 70 CDIDRO Cc1noc(CCC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000159516132 237149353 /nfs/dbraw/zinc/14/93/53/237149353.db2.gz CLMOEOYIGOBEQA-UHFFFAOYSA-N 1 0 266.345 1.088 20 70 CDIDRO Cc1cccc([C@@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000160736101 237184307 /nfs/dbraw/zinc/18/43/07/237184307.db2.gz YYHPWTUDOKXWLS-ZFWWWQNUSA-N 1 0 276.380 1.593 20 70 CDIDRO COc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000160157511 363690981 /nfs/dbraw/zinc/69/09/81/363690981.db2.gz ADCSFYLMRQTZON-KGLIPLIRSA-N 1 0 274.364 1.893 20 70 CDIDRO CCn1nccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159463900 360193548 /nfs/dbraw/zinc/19/35/48/360193548.db2.gz CPZDXTSHUUPDQP-MJBXVCDLSA-N 1 0 261.369 1.950 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160967176 360216997 /nfs/dbraw/zinc/21/69/97/360216997.db2.gz DAMVGVJZAPECPS-LDWIPMOCSA-N 1 0 277.151 1.490 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000161056334 360493548 /nfs/dbraw/zinc/49/35/48/360493548.db2.gz VFGPOWJDADQTAY-AUTRQRHGSA-N 1 0 270.760 1.879 20 70 CDIDRO COCC(C)(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000160215535 363770713 /nfs/dbraw/zinc/77/07/13/363770713.db2.gz IPOZWXBGFYPBJZ-UHFFFAOYSA-N 1 0 270.417 1.897 20 70 CDIDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160306892 363818291 /nfs/dbraw/zinc/81/82/91/363818291.db2.gz NZEQKSREWWUMAG-DZGCQCFKSA-N 1 0 283.416 1.275 20 70 CDIDRO CCOC(=O)N1CCC[C@@H](C(=O)NCC([NH3+])(CC)CC)C1 ZINC000160415272 363854698 /nfs/dbraw/zinc/85/46/98/363854698.db2.gz PQQIZMKECWWXGU-GFCCVEGCSA-N 1 0 299.415 1.489 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159634815 364244179 /nfs/dbraw/zinc/24/41/79/364244179.db2.gz WSYKPJZRQNTGKM-QWRGUYRKSA-N 1 0 271.430 1.521 20 70 CDIDRO CC(C)C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccs1 ZINC000159650601 364247359 /nfs/dbraw/zinc/24/73/59/364247359.db2.gz KKHPQCACQOAWFC-LLVKDONJSA-N 1 0 295.408 1.977 20 70 CDIDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc(F)n2)C[C@H](C)O1 ZINC000159538788 364230210 /nfs/dbraw/zinc/23/02/10/364230210.db2.gz ICQGOBOPMCOTFE-RYUDHWBXSA-N 1 0 295.358 1.450 20 70 CDIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160349282 364338208 /nfs/dbraw/zinc/33/82/08/364338208.db2.gz LUBQUCBMLFHBDH-BRAIEQGRSA-N 1 0 282.775 1.345 20 70 CDIDRO COCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000160364108 364340684 /nfs/dbraw/zinc/34/06/84/364340684.db2.gz XOYQINHVIXNOIH-HNNXBMFYSA-N 1 0 292.423 1.948 20 70 CDIDRO O=C(/C=C/c1cccnc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160094858 364305807 /nfs/dbraw/zinc/30/58/07/364305807.db2.gz TVCJTBQPFIIXCA-LQYUOIDQSA-N 1 0 289.379 1.058 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000160154573 364313013 /nfs/dbraw/zinc/31/30/13/364313013.db2.gz QXJOTGYEIDKFDD-UHFFFAOYSA-N 1 0 261.325 1.114 20 70 CDIDRO CCOc1ccc(CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160204913 364318048 /nfs/dbraw/zinc/31/80/48/364318048.db2.gz VSDMQQMANHSPSQ-AWEZNQCLSA-N 1 0 276.380 1.968 20 70 CDIDRO CCCNC(=O)c1cccc(C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000160495951 364363165 /nfs/dbraw/zinc/36/31/65/364363165.db2.gz FZDXFNZZLRHWIT-AWEZNQCLSA-N 1 0 289.379 1.260 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)/C=C(/C)c2cccc(OC)c2)C1 ZINC000160685466 364394131 /nfs/dbraw/zinc/39/41/31/364394131.db2.gz PQPDVHYHPZITOE-UQTJOTSZSA-N 1 0 274.364 1.919 20 70 CDIDRO CCc1ncc(NC(=O)NCC[N@H+](C)CCCOC)cn1 ZINC000161157937 364456266 /nfs/dbraw/zinc/45/62/66/364456266.db2.gz MZDDNUJTFHMXOO-UHFFFAOYSA-N 1 0 295.387 1.129 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000160812747 364412930 /nfs/dbraw/zinc/41/29/30/364412930.db2.gz CNNAJBZFOSLBDA-ZDUSSCGKSA-N 1 0 290.411 1.714 20 70 CDIDRO O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[NH2+]CC1 ZINC000160852324 364418989 /nfs/dbraw/zinc/41/89/89/364418989.db2.gz DLRBLQDHXSYXFQ-HWKANZROSA-N 1 0 272.348 1.457 20 70 CDIDRO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)N1CCCCC1 ZINC000160551028 370408827 /nfs/dbraw/zinc/40/88/27/370408827.db2.gz KYFVDGDIIZDFSF-UHFFFAOYSA-N 1 0 290.411 1.992 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000160662210 377099716 /nfs/dbraw/zinc/09/97/16/377099716.db2.gz QQESNHHHBWLJOI-UHFFFAOYSA-N 1 0 296.798 1.774 20 70 CDIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000161100763 390967332 /nfs/dbraw/zinc/96/73/32/390967332.db2.gz IDBGWMBVYGWQFJ-SNPRPXQTSA-N 1 0 276.380 1.926 20 70 CDIDRO O=C(/C=C\c1ccc2c(c1)OCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218320709 265329411 /nfs/dbraw/zinc/32/94/11/265329411.db2.gz VFNHHWQTVYRBGK-JXTGZPRQSA-N 1 0 286.331 1.106 20 70 CDIDRO COC(=O)c1ccc(CNCC2([NH+](C)C)CCCC2)[nH]1 ZINC000160670092 277158968 /nfs/dbraw/zinc/15/89/68/277158968.db2.gz GEFJCSXZRIEEHN-UHFFFAOYSA-N 1 0 279.384 1.765 20 70 CDIDRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C[NH+](C)C ZINC000160647636 279366981 /nfs/dbraw/zinc/36/69/81/279366981.db2.gz PZVHPIGYGUMEIB-DGCLKSJQSA-N 1 0 250.342 1.176 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC000160670763 279875640 /nfs/dbraw/zinc/87/56/40/279875640.db2.gz IYPNQSFLCCQBIY-FZMZJTMJSA-N 1 0 264.344 1.825 20 70 CDIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000159466785 292759727 /nfs/dbraw/zinc/75/97/27/292759727.db2.gz XNAZNTSZMZUWBC-NSHDSACASA-N 1 0 285.409 1.902 20 70 CDIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)C1CCOCC1 ZINC000159586087 292762425 /nfs/dbraw/zinc/76/24/25/292762425.db2.gz IDCJAPGKGZCGCT-GFCCVEGCSA-N 1 0 254.374 1.404 20 70 CDIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 ZINC000160599643 292790806 /nfs/dbraw/zinc/79/08/06/292790806.db2.gz JXPJDXRCKCJNPC-RKDXNWHRSA-N 1 0 268.279 1.070 20 70 CDIDRO COc1cc(CN2CCC[C@H](C)[C@H]2C[NH3+])cc2c1OCO2 ZINC000159985534 482774226 /nfs/dbraw/zinc/77/42/26/482774226.db2.gz ACGIVPFQINAXLF-WCQYABFASA-N 1 0 292.379 1.983 20 70 CDIDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160258235 482792711 /nfs/dbraw/zinc/79/27/11/482792711.db2.gz PUUUKYWTGBGKNX-IHRRRGAJSA-N 1 0 295.427 1.125 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC000160765108 482824006 /nfs/dbraw/zinc/82/40/06/482824006.db2.gz ZDESHKZAHLVCDR-UONOGXRCSA-N 1 0 258.365 1.927 20 70 CDIDRO CCCc1noc(CCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000161082259 482858503 /nfs/dbraw/zinc/85/85/03/482858503.db2.gz MYRUIXBATYREGB-RYUDHWBXSA-N 1 0 294.399 1.731 20 70 CDIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000161301535 482872658 /nfs/dbraw/zinc/87/26/58/482872658.db2.gz TVMHOVCVMGOSKA-RYUDHWBXSA-N 1 0 278.400 1.946 20 70 CDIDRO CC(C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160810589 519359002 /nfs/dbraw/zinc/35/90/02/519359002.db2.gz CFSPTVYWAUSQTR-NSHDSACASA-N 1 0 269.389 1.073 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160414110 520833205 /nfs/dbraw/zinc/83/32/05/520833205.db2.gz VCHSOQSFLUJAPC-GFCCVEGCSA-N 1 0 292.379 1.820 20 70 CDIDRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccco2)CCCCC1 ZINC000159488318 534534932 /nfs/dbraw/zinc/53/49/32/534534932.db2.gz IBTQHWFOCAQGPR-UHFFFAOYSA-N 1 0 293.367 1.177 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000161273860 522087187 /nfs/dbraw/zinc/08/71/87/522087187.db2.gz CJPVTBGSNPBOSQ-GFCCVEGCSA-N 1 0 258.325 1.387 20 70 CDIDRO COCCC[N@H+](C)CCNC(=O)c1sc(C)nc1C ZINC000161062553 523225908 /nfs/dbraw/zinc/22/59/08/523225908.db2.gz PSVCQIDAAVPHHG-UHFFFAOYSA-N 1 0 285.413 1.458 20 70 CDIDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160944919 524094884 /nfs/dbraw/zinc/09/48/84/524094884.db2.gz MWJTXJKIBZDLSV-LLVKDONJSA-N 1 0 260.341 1.148 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000161193196 361911571 /nfs/dbraw/zinc/91/15/71/361911571.db2.gz KAZPNKOVHIDPTK-MRVPVSSYSA-N 1 0 276.262 1.384 20 70 CDIDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160861349 539116960 /nfs/dbraw/zinc/11/69/60/539116960.db2.gz IPJIXWFKZOVAOH-UXOAXIEHSA-N 1 0 282.428 1.773 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000159847322 362375747 /nfs/dbraw/zinc/37/57/47/362375747.db2.gz COOSNMJPFVZONO-GFCCVEGCSA-N 1 0 266.316 1.644 20 70 CDIDRO CN(CC(=O)NCc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160047101 362389376 /nfs/dbraw/zinc/38/93/76/362389376.db2.gz PKPZNTKWYUSHQE-AWEZNQCLSA-N 1 0 295.814 1.625 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000161283811 362403714 /nfs/dbraw/zinc/40/37/14/362403714.db2.gz OHVFNDLZOAGLPW-NSHDSACASA-N 1 0 272.352 1.316 20 70 CDIDRO C[C@H](CCO)[NH2+]Cc1cncc(Br)c1 ZINC000160594006 362455304 /nfs/dbraw/zinc/45/53/04/362455304.db2.gz IXCDGLLJMHJOHF-MRVPVSSYSA-N 1 0 259.147 1.705 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000160751362 362487570 /nfs/dbraw/zinc/48/75/70/362487570.db2.gz ZGKJTBYTELOVFW-QMMMGPOBSA-N 1 0 289.198 1.945 20 70 CDIDRO C[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000218094175 344859766 /nfs/dbraw/zinc/85/97/66/344859766.db2.gz WVMLRQYVLMNZGX-AWEZNQCLSA-N 1 0 288.395 1.118 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCO)C1CC1 ZINC000160969888 362576404 /nfs/dbraw/zinc/57/64/04/362576404.db2.gz KFAFIFZWBILPQB-OAHLLOKOSA-N 1 0 297.443 1.663 20 70 CDIDRO Cc1nc(C)c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000159548102 482707323 /nfs/dbraw/zinc/70/73/23/482707323.db2.gz XDRHETSQHNJXOR-LLVKDONJSA-N 1 0 263.341 1.696 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160007306 188451219 /nfs/dbraw/zinc/45/12/19/188451219.db2.gz HCTVXSRUFDKFSU-BDAKNGLRSA-N 1 0 268.307 1.922 20 70 CDIDRO CCc1ccccc1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000160372032 188468964 /nfs/dbraw/zinc/46/89/64/188468964.db2.gz AOVRZHGTTJOAQH-UHFFFAOYSA-N 1 0 276.380 1.634 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160603278 188482790 /nfs/dbraw/zinc/48/27/90/188482790.db2.gz XWYMNJBCUDRGNP-GFCCVEGCSA-N 1 0 280.343 1.402 20 70 CDIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](C)[NH3+])cc1 ZINC000161100001 363263702 /nfs/dbraw/zinc/26/37/02/363263702.db2.gz IDBGWMBVYGWQFJ-CFVMTHIKSA-N 1 0 276.380 1.926 20 70 CDIDRO CCO[C@@H](CC)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159858651 363380569 /nfs/dbraw/zinc/38/05/69/363380569.db2.gz OTHAYXVTYAWKOA-AWEZNQCLSA-N 1 0 268.401 1.792 20 70 CDIDRO CCOCC[NH+]1CCN(Cc2cnc3ccccn23)CC1 ZINC000159946884 363477198 /nfs/dbraw/zinc/47/71/98/363477198.db2.gz COEJIFIIGBZWBG-UHFFFAOYSA-N 1 0 288.395 1.488 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937023 356685683 /nfs/dbraw/zinc/68/56/83/356685683.db2.gz MNKXLWPJGKZLKD-SSDOTTSWSA-N 1 0 280.715 1.353 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161067875 360764616 /nfs/dbraw/zinc/76/46/16/360764616.db2.gz QKVAMQCTUWLAPJ-RDBSUJKOSA-N 1 0 266.385 1.450 20 70 CDIDRO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C1=O ZINC000159480339 361710780 /nfs/dbraw/zinc/71/07/80/361710780.db2.gz VWMFYOAIVLRRON-IUODEOHRSA-N 1 0 294.370 1.942 20 70 CDIDRO COC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)c1ccc(C)cc1 ZINC000159557377 364233224 /nfs/dbraw/zinc/23/32/24/364233224.db2.gz NGIMQEISYBULRW-KGLIPLIRSA-N 1 0 291.347 1.176 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000159587982 364238139 /nfs/dbraw/zinc/23/81/39/364238139.db2.gz OSJMVWOQOYKDIG-GFCCVEGCSA-N 1 0 280.368 1.838 20 70 CDIDRO Cc1ccc(-c2nc(CC(=O)N3CC[C@@H]([NH3+])C3)cs2)o1 ZINC000160270350 364328255 /nfs/dbraw/zinc/32/82/55/364328255.db2.gz LRBSPDOJOMUSKG-SNVBAGLBSA-N 1 0 291.376 1.814 20 70 CDIDRO CCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000160207384 364318132 /nfs/dbraw/zinc/31/81/32/364318132.db2.gz WYLLNDRETYILGU-SNVBAGLBSA-N 1 0 298.770 1.921 20 70 CDIDRO O=C(C[C@H]1C[NH2+]CCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522740 364366162 /nfs/dbraw/zinc/36/61/62/364366162.db2.gz LAWNTBMCZJQYFJ-ZDUSSCGKSA-N 1 0 294.782 1.824 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000160541649 364368819 /nfs/dbraw/zinc/36/88/19/364368819.db2.gz PWQKKVFAHYOKAQ-RISCZKNCSA-N 1 0 292.354 1.855 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)C1 ZINC000160542430 364371185 /nfs/dbraw/zinc/37/11/85/364371185.db2.gz HZHAMQUTGKYVCV-RYUDHWBXSA-N 1 0 294.420 1.996 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cnn(C)c1 ZINC000160554873 364371988 /nfs/dbraw/zinc/37/19/88/364371988.db2.gz CANYHRXBIUURRX-CQSZACIVSA-N 1 0 278.400 1.199 20 70 CDIDRO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161173029 364459498 /nfs/dbraw/zinc/45/94/98/364459498.db2.gz HCZMSDZQNBACFD-UHFFFAOYSA-N 1 0 284.787 1.956 20 70 CDIDRO CCCCOC(=O)CN1CCN(Cc2ccncc2)CC1 ZINC000161173021 364459867 /nfs/dbraw/zinc/45/98/67/364459867.db2.gz KGOPXWWQLKFWFN-UHFFFAOYSA-N 1 0 291.395 1.543 20 70 CDIDRO CCc1cc(=O)[nH]c(C[N@H+](CCOC)CC(C)C)n1 ZINC000160792359 364409479 /nfs/dbraw/zinc/40/94/79/364409479.db2.gz JMIUVBXFEMKCIQ-UHFFFAOYSA-N 1 0 267.373 1.849 20 70 CDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797286 364410723 /nfs/dbraw/zinc/41/07/23/364410723.db2.gz FWJJCVWQDZKSTI-YGRLFVJLSA-N 1 0 289.379 1.627 20 70 CDIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCO1 ZINC000160905754 364425188 /nfs/dbraw/zinc/42/51/88/364425188.db2.gz JDLZADCGRJHURP-MRXNPFEDSA-N 1 0 288.391 1.730 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000161277368 368153472 /nfs/dbraw/zinc/15/34/72/368153472.db2.gz XMONNQXKGBKPON-MRZGDXHCSA-N 1 0 287.363 1.009 20 70 CDIDRO COc1cccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159908252 139907253 /nfs/dbraw/zinc/90/72/53/139907253.db2.gz NCWWHRNHQCTHQZ-CYBMUJFWSA-N 1 0 263.341 1.896 20 70 CDIDRO CCOc1cc(Cl)ccc1NC(=O)C[NH2+]CCOC ZINC000161503630 375649642 /nfs/dbraw/zinc/64/96/42/375649642.db2.gz PBFGDPTZODPCJI-UHFFFAOYSA-N 1 0 286.759 1.913 20 70 CDIDRO OC[C@@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000218443155 375838832 /nfs/dbraw/zinc/83/88/32/375838832.db2.gz PCXDPSMNPNLFRL-QWHCGFSZSA-N 1 0 263.337 1.673 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC000160556929 532956968 /nfs/dbraw/zinc/95/69/68/532956968.db2.gz QLFZRRMVTOXBBM-CQSZACIVSA-N 1 0 275.352 1.008 20 70 CDIDRO CN(C)C(=O)Nc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160317312 390978641 /nfs/dbraw/zinc/97/86/41/390978641.db2.gz MJESRYRAZMMOKE-ZDUSSCGKSA-N 1 0 290.367 1.343 20 70 CDIDRO COc1cccc(SCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160351535 286461148 /nfs/dbraw/zinc/46/11/48/286461148.db2.gz SKXDTQLTLOSQGU-NSHDSACASA-N 1 0 280.393 1.737 20 70 CDIDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000218063595 413386137 /nfs/dbraw/zinc/38/61/37/413386137.db2.gz WCJOMUAEHSUJLB-JBBSTSQOSA-N 1 0 288.391 1.966 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)[C@H](C[NH3+])C1 ZINC000161131256 277290902 /nfs/dbraw/zinc/29/09/02/277290902.db2.gz IFULVFUIJJAQCT-NWDGAFQWSA-N 1 0 282.409 1.943 20 70 CDIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CC[NH3+] ZINC000161096055 278619364 /nfs/dbraw/zinc/61/93/64/278619364.db2.gz ZQAGPPJRVNDDGT-OTYXRUKQSA-N 1 0 250.317 1.914 20 70 CDIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC(C)(C)O ZINC000160635535 289413851 /nfs/dbraw/zinc/41/38/51/289413851.db2.gz XXMSUNCODRCCPO-GFCCVEGCSA-N 1 0 256.390 1.528 20 70 CDIDRO CCOC(=O)N[C@@H](C(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000159465781 292759718 /nfs/dbraw/zinc/75/97/18/292759718.db2.gz YFYCHHSSTBZGQO-GFCCVEGCSA-N 1 0 299.415 1.535 20 70 CDIDRO CCCn1nccc1C[NH2+]C1CCN(C(C)=O)CC1 ZINC000160080944 482780484 /nfs/dbraw/zinc/78/04/84/482780484.db2.gz CLWQFRMXKJMDBA-UHFFFAOYSA-N 1 0 264.373 1.394 20 70 CDIDRO CC(C)OCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160375991 482796694 /nfs/dbraw/zinc/79/66/94/482796694.db2.gz YRYWGKVNHKABGH-UHFFFAOYSA-N 1 0 290.407 1.849 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000160884313 482836305 /nfs/dbraw/zinc/83/63/05/482836305.db2.gz RJIIBMYHIMXHHI-VXGBXAGGSA-N 1 0 268.307 1.893 20 70 CDIDRO Cc1ccc(-n2ccnc2)c(C(=O)N2CC[NH2+]CC2)c1 ZINC000159438000 534240491 /nfs/dbraw/zinc/24/04/91/534240491.db2.gz JPNXLQNFOLLJPT-UHFFFAOYSA-N 1 0 270.336 1.226 20 70 CDIDRO CC(C)NC(=O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000160906887 519708119 /nfs/dbraw/zinc/70/81/19/519708119.db2.gz OBVSOSBBBZPRGA-UHFFFAOYSA-N 1 0 281.444 1.898 20 70 CDIDRO COCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160561846 521795687 /nfs/dbraw/zinc/79/56/87/521795687.db2.gz JFXAQYGKKQCBAC-LLVKDONJSA-N 1 0 289.372 1.614 20 70 CDIDRO CC[C@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160909220 522215769 /nfs/dbraw/zinc/21/57/69/522215769.db2.gz CBQUBDPNIDHDAM-ZIAGYGMSSA-N 1 0 285.432 1.567 20 70 CDIDRO COC1(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)CC[NH2+]CC1 ZINC000159438402 522557624 /nfs/dbraw/zinc/55/76/24/522557624.db2.gz XXQBEZNTXCHXSU-UHFFFAOYSA-N 1 0 294.399 1.705 20 70 CDIDRO COc1ccc(CCNC(=O)[C@H](C)[NH3+])c(Cl)c1 ZINC000160599992 523967463 /nfs/dbraw/zinc/96/74/63/523967463.db2.gz MAFADJXSQLGEPC-QMMMGPOBSA-N 1 0 256.733 1.355 20 70 CDIDRO CN1CCc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2C1=O ZINC000160797665 524000612 /nfs/dbraw/zinc/00/06/12/524000612.db2.gz FCJAENOFQOKACI-LBPRGKRZSA-N 1 0 287.363 1.395 20 70 CDIDRO CN(Cc1ccc(Br)c(F)c1)C1C[NH2+]C1 ZINC000161503876 536463423 /nfs/dbraw/zinc/46/34/23/536463423.db2.gz XSWRVHOZKXYKLC-UHFFFAOYSA-N 1 0 273.149 1.992 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000159547938 528896939 /nfs/dbraw/zinc/89/69/39/528896939.db2.gz WLBSOKLBXHFBFW-AWEZNQCLSA-N 1 0 271.405 1.537 20 70 CDIDRO O=C(NCCc1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000159668737 361772140 /nfs/dbraw/zinc/77/21/40/361772140.db2.gz QKGQILNMYDJYDI-LLVKDONJSA-N 1 0 268.307 1.623 20 70 CDIDRO C[C@H](CNC(=O)C1([NH3+])CC1)Sc1ccccc1 ZINC000161115867 361874119 /nfs/dbraw/zinc/87/41/19/361874119.db2.gz PAKIBGCUORBUAN-SNVBAGLBSA-N 1 0 250.367 1.775 20 70 CDIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000161151218 361888680 /nfs/dbraw/zinc/88/86/80/361888680.db2.gz ABZGRVMADWABPE-AAEUAGOBSA-N 1 0 280.343 1.851 20 70 CDIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CC[C@@H](C)O ZINC000159909882 361924151 /nfs/dbraw/zinc/92/41/51/361924151.db2.gz VJVIHYIJEIIEDN-OCCSQVGLSA-N 1 0 286.416 1.009 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000159928676 361949803 /nfs/dbraw/zinc/94/98/03/361949803.db2.gz XUMSQCKASJLDFL-UHFFFAOYSA-N 1 0 278.356 1.043 20 70 CDIDRO CCn1nccc1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000159884550 539114992 /nfs/dbraw/zinc/11/49/92/539114992.db2.gz TUOHOGDXUNFGDQ-UHFFFAOYSA-N 1 0 258.325 1.292 20 70 CDIDRO CCCC[C@@H](COC)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000159898925 539115002 /nfs/dbraw/zinc/11/50/02/539115002.db2.gz MHOFSNSSACVHEE-NSHDSACASA-N 1 0 265.419 1.604 20 70 CDIDRO Cc1nc([C@H](NC(=O)[C@H](C)[NH3+])c2ccccc2F)no1 ZINC000160137831 362036865 /nfs/dbraw/zinc/03/68/65/362036865.db2.gz YYNUXVGQTQDLDK-WRWORJQWSA-N 1 0 278.287 1.070 20 70 CDIDRO CC[C@H](O)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161006457 529692165 /nfs/dbraw/zinc/69/21/65/529692165.db2.gz HMFDHRFJURCZKS-GJZGRUSLSA-N 1 0 299.459 1.957 20 70 CDIDRO CCc1ccsc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216796588 342439438 /nfs/dbraw/zinc/43/94/38/342439438.db2.gz VCIPFCOJNAUYED-MNOVXSKESA-N 1 0 250.367 1.744 20 70 CDIDRO CCC(CC)[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000159758994 362363455 /nfs/dbraw/zinc/36/34/55/362363455.db2.gz PDEHPNUIGWPZDU-LSDHHAIUSA-N 1 0 278.396 1.470 20 70 CDIDRO C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160134973 362395835 /nfs/dbraw/zinc/39/58/35/362395835.db2.gz BQQMZHQGHSOFFZ-SCRDCRAPSA-N 1 0 267.417 1.445 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000161299975 362442614 /nfs/dbraw/zinc/44/26/14/362442614.db2.gz ZQNJDZJOLXICKE-CYBMUJFWSA-N 1 0 294.399 1.085 20 70 CDIDRO CO[C@@]1(C[NH2+]CCCOc2ccccc2)CCOC1 ZINC000160324885 362413494 /nfs/dbraw/zinc/41/34/94/362413494.db2.gz APLONFLCNAZUHZ-OAHLLOKOSA-N 1 0 265.353 1.851 20 70 CDIDRO CC[C@H](COC)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159448677 344957901 /nfs/dbraw/zinc/95/79/01/344957901.db2.gz ASXQTBUOJVGLJM-VXGBXAGGSA-N 1 0 257.378 1.052 20 70 CDIDRO Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000159843742 362543181 /nfs/dbraw/zinc/54/31/81/362543181.db2.gz IXMVTVIMDNGKTC-JSGCOSHPSA-N 1 0 262.353 1.144 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)Nc1nncn1Cc1ccccc1 ZINC000159632757 363090326 /nfs/dbraw/zinc/09/03/26/363090326.db2.gz OKCRCCGZTBLLRX-NSHDSACASA-N 1 0 273.340 1.120 20 70 CDIDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160594664 188483213 /nfs/dbraw/zinc/48/32/13/188483213.db2.gz FWVWRNZEAFUTDT-SNVBAGLBSA-N 1 0 268.332 1.903 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(O)c(F)c2)C1 ZINC000159454670 358575129 /nfs/dbraw/zinc/57/51/29/358575129.db2.gz KAZAXEGAWLKFKF-GFCCVEGCSA-N 1 0 295.358 1.672 20 70 CDIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])ccc1-n1cncn1 ZINC000160121921 237166562 /nfs/dbraw/zinc/16/65/62/237166562.db2.gz DQYWPIYLAONXEY-UHFFFAOYSA-N 1 0 273.340 1.043 20 70 CDIDRO CCCSCC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161058592 360499277 /nfs/dbraw/zinc/49/92/77/360499277.db2.gz KSKIGSZZEPWUIO-UHFFFAOYSA-N 1 0 258.431 1.978 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cc2ccccc2o1 ZINC000217842269 360528302 /nfs/dbraw/zinc/52/83/02/360528302.db2.gz MEQCBFDXUMIDRU-YUSALJHKSA-N 1 0 274.320 1.333 20 70 CDIDRO COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160234528 360781438 /nfs/dbraw/zinc/78/14/38/360781438.db2.gz WBSXXBXSWBGVMB-IEZBTEQYSA-N 1 0 274.364 1.744 20 70 CDIDRO Cc1ccc(N2CC[C@H]([N@@H+](C)C[C@@H](C)O)C2=O)cc1 ZINC000159397775 361683504 /nfs/dbraw/zinc/68/35/04/361683504.db2.gz BOKXQFZGRSXSIM-OCCSQVGLSA-N 1 0 262.353 1.413 20 70 CDIDRO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159462473 361715095 /nfs/dbraw/zinc/71/50/95/361715095.db2.gz WKMRKPUGFYXAHM-VXGBXAGGSA-N 1 0 250.342 1.635 20 70 CDIDRO CC[N@H+](CCNC(=O)NCCc1ccncc1C)C(C)C ZINC000160523228 363970357 /nfs/dbraw/zinc/97/03/57/363970357.db2.gz QCAZXWXOZXQYNG-UHFFFAOYSA-N 1 0 292.427 1.962 20 70 CDIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC000159484906 364217076 /nfs/dbraw/zinc/21/70/76/364217076.db2.gz ARXJHZVMIYGNMV-GFCCVEGCSA-N 1 0 275.352 1.588 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000159362031 364191844 /nfs/dbraw/zinc/19/18/44/364191844.db2.gz ZIIZXKSTXFWNKZ-CQSZACIVSA-N 1 0 263.385 1.821 20 70 CDIDRO O=C(C[NH2+]CC1CC1)Nc1cnn(CC(F)(F)F)c1 ZINC000159698506 364255068 /nfs/dbraw/zinc/25/50/68/364255068.db2.gz CWCZQYHTOBNOMS-UHFFFAOYSA-N 1 0 276.262 1.384 20 70 CDIDRO Cc1csc([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000159744232 364260259 /nfs/dbraw/zinc/26/02/59/364260259.db2.gz VLSQGJUYQUWXKD-KOLCDFICSA-N 1 0 267.398 1.765 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000159506437 364223771 /nfs/dbraw/zinc/22/37/71/364223771.db2.gz WCTUZDLWBVUOAI-BDAKNGLRSA-N 1 0 267.354 1.802 20 70 CDIDRO COc1cc(CCNC(=O)C2CC[NH2+]CC2)ccc1C ZINC000160318936 364334322 /nfs/dbraw/zinc/33/43/22/364334322.db2.gz RSEZFYIRRXIGDJ-UHFFFAOYSA-N 1 0 276.380 1.662 20 70 CDIDRO COCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160363993 364341606 /nfs/dbraw/zinc/34/16/06/364341606.db2.gz XOYQINHVIXNOIH-OAHLLOKOSA-N 1 0 292.423 1.948 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000160032428 364296548 /nfs/dbraw/zinc/29/65/48/364296548.db2.gz VEYAXPPHMZREDR-AWEZNQCLSA-N 1 0 276.384 1.326 20 70 CDIDRO COc1ccc(-c2cncc(C(=O)NCCC[NH3+])c2)cc1 ZINC000160042964 364298981 /nfs/dbraw/zinc/29/89/81/364298981.db2.gz IZIIILIXTQTGKO-UHFFFAOYSA-N 1 0 285.347 1.836 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000160130562 364309458 /nfs/dbraw/zinc/30/94/58/364309458.db2.gz LQQIEFMBFYIWHJ-JTQLQIEISA-N 1 0 286.734 1.808 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OC(C)C)C1 ZINC000160762909 364406723 /nfs/dbraw/zinc/40/67/23/364406723.db2.gz GGEUUFGSBOAURU-GFCCVEGCSA-N 1 0 262.353 1.908 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000160541737 364368728 /nfs/dbraw/zinc/36/87/28/364368728.db2.gz PWQKKVFAHYOKAQ-SMDDNHRTSA-N 1 0 292.354 1.855 20 70 CDIDRO C[C@@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000160409291 364346979 /nfs/dbraw/zinc/34/69/79/364346979.db2.gz ZRLBLDNWBYNRDY-HZPDHXFCSA-N 1 0 295.471 1.957 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160417783 364349857 /nfs/dbraw/zinc/34/98/57/364349857.db2.gz NWLRSHRRBNPHLC-LLVKDONJSA-N 1 0 261.325 1.637 20 70 CDIDRO O=C(C[NH2+]CC1CC1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000161331904 364479235 /nfs/dbraw/zinc/47/92/35/364479235.db2.gz QIYSAPZUAARQPA-UHFFFAOYSA-N 1 0 278.356 1.242 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000161387656 364486718 /nfs/dbraw/zinc/48/67/18/364486718.db2.gz DSDZWNXOCZRUSF-GFCCVEGCSA-N 1 0 275.352 1.607 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000161405589 373521243 /nfs/dbraw/zinc/52/12/43/373521243.db2.gz ZSNCVUMQGOWSCN-LBPRGKRZSA-N 1 0 274.430 1.342 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)COc1cccc(C(C)=O)c1 ZINC000160526710 377084498 /nfs/dbraw/zinc/08/44/98/377084498.db2.gz PLJIMMDKACYYGK-UHFFFAOYSA-N 1 0 292.379 1.902 20 70 CDIDRO [NH3+]C1(C(=O)NCc2ccccc2OCCO)CCCCC1 ZINC000161250434 377522839 /nfs/dbraw/zinc/52/28/39/377522839.db2.gz DOBFYONDDDMLAW-UHFFFAOYSA-N 1 0 292.379 1.336 20 70 CDIDRO C(CN1CC[C@@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161269016 391586570 /nfs/dbraw/zinc/58/65/70/391586570.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 1 0 281.444 1.269 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000159958318 139907787 /nfs/dbraw/zinc/90/77/87/139907787.db2.gz GFLTXGNVKHSPAS-ZDUSSCGKSA-N 1 0 286.372 1.325 20 70 CDIDRO C[C@@]([NH2+]CCOCC1CC1)(C(N)=O)c1ccccc1 ZINC000159929612 139907792 /nfs/dbraw/zinc/90/77/92/139907792.db2.gz GDZNZMQCRGCJPY-HNNXBMFYSA-N 1 0 262.353 1.403 20 70 CDIDRO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217522752 140162896 /nfs/dbraw/zinc/16/28/96/140162896.db2.gz NFIBKKFLBCDWRH-DZGCQCFKSA-N 1 0 275.396 1.629 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNCc1c(C)nn(C)c1OC ZINC000217391437 140164058 /nfs/dbraw/zinc/16/40/58/140164058.db2.gz AUHDJKAFXCFIAV-NSHDSACASA-N 1 0 268.405 1.557 20 70 CDIDRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)c(Cl)c1 ZINC000217229447 413458608 /nfs/dbraw/zinc/45/86/08/413458608.db2.gz GKCCGAIWPDHIHW-VIFPVBQESA-N 1 0 268.744 1.783 20 70 CDIDRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000159623439 292762935 /nfs/dbraw/zinc/76/29/35/292762935.db2.gz PJVSJFPGPLPRAN-OCCSQVGLSA-N 1 0 268.401 1.792 20 70 CDIDRO C[C@H](CNC(=O)N(C)CC1CCOCC1)C[NH+]1CCCC1 ZINC000159744847 292767548 /nfs/dbraw/zinc/76/75/48/292767548.db2.gz HETOFJNTDBUVKZ-CQSZACIVSA-N 1 0 297.443 1.786 20 70 CDIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCOC2)CC1 ZINC000160941930 292796676 /nfs/dbraw/zinc/79/66/76/292796676.db2.gz DGDTXVXTBVKHGE-HNNXBMFYSA-N 1 0 297.443 1.786 20 70 CDIDRO CC(C)OCCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160363571 482796991 /nfs/dbraw/zinc/79/69/91/482796991.db2.gz SZNXCCXQVYVOKH-UHFFFAOYSA-N 1 0 279.384 1.567 20 70 CDIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000160990843 482849993 /nfs/dbraw/zinc/84/99/93/482849993.db2.gz XHEIFLBZWAIYBJ-STQMWFEESA-N 1 0 299.378 1.575 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC000161127044 482862502 /nfs/dbraw/zinc/86/25/02/482862502.db2.gz OUCXGVDLIUTJTD-VHSXEESVSA-N 1 0 275.308 1.934 20 70 CDIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000161451913 482878166 /nfs/dbraw/zinc/87/81/66/482878166.db2.gz CDMSFELXAJRNMV-MNOVXSKESA-N 1 0 264.373 1.543 20 70 CDIDRO CCOC(=O)C1(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000161501491 520445833 /nfs/dbraw/zinc/44/58/33/520445833.db2.gz XWHMXDKPDHCPEV-OLZOCXBDSA-N 1 0 296.411 1.709 20 70 CDIDRO [NH3+]CCCNC(=O)CCc1ccc(OC(F)F)cc1 ZINC000160120213 534611284 /nfs/dbraw/zinc/61/12/84/534611284.db2.gz YQVPJDMGBFGISV-UHFFFAOYSA-N 1 0 272.295 1.686 20 70 CDIDRO COC(C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1)OC ZINC000160597264 522529297 /nfs/dbraw/zinc/52/92/97/522529297.db2.gz PHAMZMOGBYWQEY-ZDUSSCGKSA-N 1 0 298.427 1.576 20 70 CDIDRO CC[C@H](O)CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000160674956 522793239 /nfs/dbraw/zinc/79/32/39/522793239.db2.gz HEILVFAUCUAMGU-ZDUSSCGKSA-N 1 0 273.421 1.565 20 70 CDIDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(N)c2)CCCC1 ZINC000160684713 524036953 /nfs/dbraw/zinc/03/69/53/524036953.db2.gz YYRYAJLOMJJXQX-UHFFFAOYSA-N 1 0 297.424 1.422 20 70 CDIDRO CCOCCO[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159636628 528825010 /nfs/dbraw/zinc/82/50/10/528825010.db2.gz IFXQCKBRZWDMNC-GFCCVEGCSA-N 1 0 272.389 1.206 20 70 CDIDRO CC[C@H](C)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])on1 ZINC000160182056 529271402 /nfs/dbraw/zinc/27/14/02/529271402.db2.gz SAEIKDMEBAESJQ-VHSXEESVSA-N 1 0 251.330 1.751 20 70 CDIDRO CCOCCC[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000159713608 361808454 /nfs/dbraw/zinc/80/84/54/361808454.db2.gz HLEJJPNMBJPDHE-UHFFFAOYSA-N 1 0 281.400 1.836 20 70 CDIDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(CO)CCCC1 ZINC000160141707 342072961 /nfs/dbraw/zinc/07/29/61/342072961.db2.gz CYKSXSKCHNMKDJ-HNNXBMFYSA-N 1 0 293.407 1.877 20 70 CDIDRO CC1(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000161400603 539117669 /nfs/dbraw/zinc/11/76/69/539117669.db2.gz DHNOZSHFLMTHNP-LBPRGKRZSA-N 1 0 251.374 1.713 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000159447877 362322346 /nfs/dbraw/zinc/32/23/46/362322346.db2.gz OJHOMEGTHZVGBQ-NHYWBVRUSA-N 1 0 272.348 1.991 20 70 CDIDRO COc1cc(CN2CCC([NH3+])CC2)cc2c1OCO2 ZINC000159977320 362383915 /nfs/dbraw/zinc/38/39/15/362383915.db2.gz GXXUZVOLMFJQDV-UHFFFAOYSA-N 1 0 264.325 1.347 20 70 CDIDRO COCC[N@H+](C)CCNC(=O)c1sc(C)nc1C ZINC000161062403 362544987 /nfs/dbraw/zinc/54/49/87/362544987.db2.gz NWOUBBLPWRVKJM-UHFFFAOYSA-N 1 0 271.386 1.068 20 70 CDIDRO [NH3+]C1(CNC(=O)c2cn3cccnc3n2)CCCCC1 ZINC000159671424 363175133 /nfs/dbraw/zinc/17/51/33/363175133.db2.gz VKZZYZSICJTMLZ-UHFFFAOYSA-N 1 0 273.340 1.121 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cnn1C(C)(C)C ZINC000160136658 188457315 /nfs/dbraw/zinc/45/73/15/188457315.db2.gz PPHYCZPDQNWFQV-NSHDSACASA-N 1 0 264.373 1.510 20 70 CDIDRO CCOCCC1(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000159861918 363390663 /nfs/dbraw/zinc/39/06/63/363390663.db2.gz LWJYDDJECIHWQH-ZDUSSCGKSA-N 1 0 297.443 1.975 20 70 CDIDRO CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160882657 358776931 /nfs/dbraw/zinc/77/69/31/358776931.db2.gz PFIGXFRLISGRTM-ZFWWWQNUSA-N 1 0 295.427 1.824 20 70 CDIDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cscn1 ZINC000218759192 359064408 /nfs/dbraw/zinc/06/44/08/359064408.db2.gz XHXVOMHDLPFFGX-ONGXEEELSA-N 1 0 251.355 1.500 20 70 CDIDRO CCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160180749 283438875 /nfs/dbraw/zinc/43/88/75/283438875.db2.gz FQLAOVDAOZCLLM-CYBMUJFWSA-N 1 0 274.430 1.677 20 70 CDIDRO CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160797457 237185847 /nfs/dbraw/zinc/18/58/47/237185847.db2.gz FKMRPUNEUMEARA-LLVKDONJSA-N 1 0 264.373 1.460 20 70 CDIDRO O=C(Cc1cn2ccsc2n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159857383 237159369 /nfs/dbraw/zinc/15/93/69/237159369.db2.gz INEBEEIHJUTDIV-PHIMTYICSA-N 1 0 290.392 1.291 20 70 CDIDRO c1cc(CN2CCN(CC[NH+]3CCCCC3)CC2)ccn1 ZINC000161208776 237197056 /nfs/dbraw/zinc/19/70/56/237197056.db2.gz AUUILBDGOYZRGC-UHFFFAOYSA-N 1 0 288.439 1.685 20 70 CDIDRO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)C[C@@H](C)O)C2=O)c1 ZINC000159370495 361672070 /nfs/dbraw/zinc/67/20/70/361672070.db2.gz NIMSPGIIUAXEEQ-OCCSQVGLSA-N 1 0 294.370 1.942 20 70 CDIDRO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)cc1F ZINC000159433040 361696684 /nfs/dbraw/zinc/69/66/84/361696684.db2.gz UCUPNTMLJFIPJU-GHMZBOCLSA-N 1 0 268.332 1.774 20 70 CDIDRO O=C(C1C2CC3CC(C2)CC1C3)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160205784 283747710 /nfs/dbraw/zinc/74/77/10/283747710.db2.gz UOSHVDSMYQWOII-OKVZMFTCSA-N 1 0 274.408 1.737 20 70 CDIDRO COc1ccccc1N1CC[C@@H]([N@H+](C)C[C@H](C)O)C1=O ZINC000159375075 364193565 /nfs/dbraw/zinc/19/35/65/364193565.db2.gz ZWWAUPHCKUBUFZ-WCQYABFASA-N 1 0 278.352 1.113 20 70 CDIDRO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000159449544 364207579 /nfs/dbraw/zinc/20/75/79/364207579.db2.gz UHDONCUEOHJDIU-OAGGEKHMSA-N 1 0 288.391 1.502 20 70 CDIDRO Cc1ccccc1[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000159619713 364241994 /nfs/dbraw/zinc/24/19/94/364241994.db2.gz KXDYZYXGRXGPHH-NSHDSACASA-N 1 0 261.325 1.197 20 70 CDIDRO CC(C)C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccs1 ZINC000159650466 364247425 /nfs/dbraw/zinc/24/74/25/364247425.db2.gz KKHPQCACQOAWFC-NSHDSACASA-N 1 0 295.408 1.977 20 70 CDIDRO Cc1n[nH]cc1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000159685691 364250804 /nfs/dbraw/zinc/25/08/04/364250804.db2.gz HSXVULOFHIRTHL-ZDUSSCGKSA-N 1 0 266.389 1.353 20 70 CDIDRO Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159753855 364260343 /nfs/dbraw/zinc/26/03/43/364260343.db2.gz KPCNEARKMQRZRZ-OAHLLOKOSA-N 1 0 276.380 1.458 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)C1 ZINC000160231518 364321603 /nfs/dbraw/zinc/32/16/03/364321603.db2.gz ANQSIARRFMEXGZ-SECBINFHSA-N 1 0 291.742 1.094 20 70 CDIDRO CC[NH+]1CCC(NC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000160338515 364338258 /nfs/dbraw/zinc/33/82/58/364338258.db2.gz LMZLOYSZXZOQPS-UHFFFAOYSA-N 1 0 299.378 1.481 20 70 CDIDRO COCCC[N@H+](C)CCNC(=O)Cc1nc(C)sc1C ZINC000160007452 364294055 /nfs/dbraw/zinc/29/40/55/364294055.db2.gz ITZXTZHOOKNOFX-UHFFFAOYSA-N 1 0 299.440 1.387 20 70 CDIDRO COc1ccc(SCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160110697 364307376 /nfs/dbraw/zinc/30/73/76/364307376.db2.gz LUERAHXUCNEJIK-UHFFFAOYSA-N 1 0 268.382 1.641 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccnn1C ZINC000160443263 364354394 /nfs/dbraw/zinc/35/43/94/364354394.db2.gz PLJDXYLNZNKABA-LQYUOIDQSA-N 1 0 290.411 1.670 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000160524119 364365685 /nfs/dbraw/zinc/36/56/85/364365685.db2.gz VYDLPRRBPJVTPG-LBPRGKRZSA-N 1 0 285.351 1.010 20 70 CDIDRO COCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160584822 364377691 /nfs/dbraw/zinc/37/76/91/364377691.db2.gz LCRCFKGTRGIVKN-CYBMUJFWSA-N 1 0 256.390 1.650 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000160686209 364394066 /nfs/dbraw/zinc/39/40/66/364394066.db2.gz OPVGUGXNNPUTTR-RAIGVLPGSA-N 1 0 280.318 1.889 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)Sc1ccccc1 ZINC000161120736 367133467 /nfs/dbraw/zinc/13/34/67/367133467.db2.gz SQTVSTOLGICAHY-RYUDHWBXSA-N 1 0 264.394 1.893 20 70 CDIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000160815733 375636869 /nfs/dbraw/zinc/63/68/69/375636869.db2.gz AYHVKLNCTVBUBH-SNVBAGLBSA-N 1 0 264.300 1.551 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000160842245 376148326 /nfs/dbraw/zinc/14/83/26/376148326.db2.gz ZBVMNSCYTOSJPD-LSDHHAIUSA-N 1 0 274.364 1.647 20 70 CDIDRO CCCc1ncc(C(=O)N2CCC[C@H]2C[NH3+])s1 ZINC000160395998 377059540 /nfs/dbraw/zinc/05/95/40/377059540.db2.gz JTGKENQOASSORN-VIFPVBQESA-N 1 0 253.371 1.659 20 70 CDIDRO O=C(CC1=CCCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160535346 377084323 /nfs/dbraw/zinc/08/43/23/377084323.db2.gz RDDGQBMCPYBKKC-UHFFFAOYSA-N 1 0 280.412 1.697 20 70 CDIDRO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1C(=O)N(C)C ZINC000160519074 377085159 /nfs/dbraw/zinc/08/51/59/377085159.db2.gz SMSMCLFUJCGZES-GFCCVEGCSA-N 1 0 289.379 1.777 20 70 CDIDRO COc1ccc([C@@H](C)CCNC(=O)C2([NH3+])CC2)cc1 ZINC000160550283 377086906 /nfs/dbraw/zinc/08/69/06/377086906.db2.gz TUWGQQNICAIECO-NSHDSACASA-N 1 0 262.353 1.796 20 70 CDIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](CCOC)CC1 ZINC000161346385 377572624 /nfs/dbraw/zinc/57/26/24/377572624.db2.gz MCCWIYDKVRHQAM-GFCCVEGCSA-N 1 0 272.389 1.029 20 70 CDIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC(N)=O)CCO2 ZINC000161373819 390959366 /nfs/dbraw/zinc/95/93/66/390959366.db2.gz VBOMIKNYNUHUGT-BXKDBHETSA-N 1 0 264.325 1.372 20 70 CDIDRO c1cc(CN2CC[NH+](C[C@@H]3CCCCO3)CC2)ccn1 ZINC000161171482 285436572 /nfs/dbraw/zinc/43/65/72/285436572.db2.gz WAEAUQJESFKAII-INIZCTEOSA-N 1 0 275.396 1.768 20 70 CDIDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000217436160 392958964 /nfs/dbraw/zinc/95/89/64/392958964.db2.gz LPYKGLUHQIOPJQ-MJVIPROJSA-N 1 0 276.336 1.070 20 70 CDIDRO COc1cccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1OC ZINC000159781260 139904960 /nfs/dbraw/zinc/90/49/60/139904960.db2.gz FYVZSPOIFWAEFV-LBPRGKRZSA-N 1 0 278.352 1.513 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC000161182904 264272903 /nfs/dbraw/zinc/27/29/03/264272903.db2.gz SKWHRPVWWHDGSE-ZDUSSCGKSA-N 1 0 270.417 1.809 20 70 CDIDRO CN(C(=O)[C@H]1COc2ccccc2O1)[C@H](C[NH3+])C1CC1 ZINC000159784425 276744777 /nfs/dbraw/zinc/74/47/77/276744777.db2.gz PXNRDIXSTJBASM-BXUZGUMPSA-N 1 0 276.336 1.022 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000161103825 277273459 /nfs/dbraw/zinc/27/34/59/277273459.db2.gz NEUVGXDWRSPFLX-ZJUUUORDSA-N 1 0 266.316 1.795 20 70 CDIDRO CS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000159376104 278119926 /nfs/dbraw/zinc/11/99/26/278119926.db2.gz VJJNNRHMSBHACN-AWEZNQCLSA-N 1 0 294.420 1.765 20 70 CDIDRO CCOC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160067296 279734286 /nfs/dbraw/zinc/73/42/86/279734286.db2.gz UJICDNMLHRNHPY-NEPJUHHUSA-N 1 0 274.430 1.342 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000217368533 280088362 /nfs/dbraw/zinc/08/83/62/280088362.db2.gz KGJKLYVCLIDYQJ-UHFFFAOYSA-N 1 0 285.388 1.110 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)N(C)C1CCCCC1 ZINC000159921989 289777643 /nfs/dbraw/zinc/77/76/43/289777643.db2.gz JCWDNUHODVKXGC-ZDUSSCGKSA-N 1 0 289.445 1.165 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)NC[C@@H](C)SC)CC1 ZINC000159732151 292767673 /nfs/dbraw/zinc/76/76/73/292767673.db2.gz AKOPPYFXWPHAEN-LLVKDONJSA-N 1 0 289.445 1.148 20 70 CDIDRO CS[C@@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000159774084 292768913 /nfs/dbraw/zinc/76/89/13/292768913.db2.gz VWUDGARKVHLSJX-NSHDSACASA-N 1 0 273.446 1.769 20 70 CDIDRO CS[C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000160314580 292783839 /nfs/dbraw/zinc/78/38/39/292783839.db2.gz HNRIMKLHVHLCAC-NEPJUHHUSA-N 1 0 258.431 1.976 20 70 CDIDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)[C@H]1CCOC1 ZINC000160774904 292794212 /nfs/dbraw/zinc/79/42/12/292794212.db2.gz HCSVBQZHVQCGNS-LXIYXOSZSA-N 1 0 267.394 1.809 20 70 CDIDRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ncn1 ZINC000161204819 292801911 /nfs/dbraw/zinc/80/19/11/292801911.db2.gz FSTBWPJQLNJNMS-OAHLLOKOSA-N 1 0 284.363 1.818 20 70 CDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000161473648 292806703 /nfs/dbraw/zinc/80/67/03/292806703.db2.gz MOFYRLJVFUOGJV-GFCCVEGCSA-N 1 0 286.416 1.946 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000160884698 482836272 /nfs/dbraw/zinc/83/62/72/482836272.db2.gz CGVSTFRKHRBJJC-UWVGGRQHSA-N 1 0 268.307 1.893 20 70 CDIDRO CCN(CC)C(=O)CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161224240 482868224 /nfs/dbraw/zinc/86/82/24/482868224.db2.gz JOBMNLCPOKZNAP-RYUDHWBXSA-N 1 0 269.389 1.021 20 70 CDIDRO CCC[C@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160680555 520998164 /nfs/dbraw/zinc/99/81/64/520998164.db2.gz NJJDACCNDHBDFF-LBPRGKRZSA-N 1 0 256.390 1.243 20 70 CDIDRO COC(C)(C)C[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000160967397 522499790 /nfs/dbraw/zinc/49/97/90/522499790.db2.gz CGJXSOPPWVMGTL-LLVKDONJSA-N 1 0 256.390 1.696 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160434176 523586115 /nfs/dbraw/zinc/58/61/15/523586115.db2.gz SVQFWSXNWBHMIV-KGLIPLIRSA-N 1 0 270.417 1.897 20 70 CDIDRO O=C(CC1CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160195396 534821661 /nfs/dbraw/zinc/82/16/61/534821661.db2.gz FEISTZJEBNJPRW-CABCVRRESA-N 1 0 280.412 1.671 20 70 CDIDRO Cc1nc(CN(C)CCC[NH+]2CCN(C)CC2)cs1 ZINC000161497141 526839396 /nfs/dbraw/zinc/83/93/96/526839396.db2.gz KWZSRQNXOAOPRE-UHFFFAOYSA-N 1 0 282.457 1.521 20 70 CDIDRO CC(C)(C[NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159695904 527069330 /nfs/dbraw/zinc/06/93/30/527069330.db2.gz USJBXHWLPNHNHG-UHFFFAOYSA-N 1 0 264.251 1.369 20 70 CDIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(CCOC)CC2)C1 ZINC000161035173 527827103 /nfs/dbraw/zinc/82/71/03/527827103.db2.gz CZGAHKKAQSTITK-CQSZACIVSA-N 1 0 297.443 1.786 20 70 CDIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000159546857 361734705 /nfs/dbraw/zinc/73/47/05/361734705.db2.gz FFANSCBAYFVCRT-CQSZACIVSA-N 1 0 282.428 1.992 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C[NH3+] ZINC000161056802 361750353 /nfs/dbraw/zinc/75/03/53/361750353.db2.gz ABRDJFTVLSKKNW-UFBFGSQYSA-N 1 0 256.733 1.491 20 70 CDIDRO C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161379158 539117608 /nfs/dbraw/zinc/11/76/08/539117608.db2.gz JXUCULJSLHTGJY-ZDUSSCGKSA-N 1 0 290.411 1.507 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC000159464408 342366624 /nfs/dbraw/zinc/36/66/24/342366624.db2.gz MPQQIZKOLHLCAE-LLVKDONJSA-N 1 0 272.352 1.635 20 70 CDIDRO CCOc1cc2c(cc1NC(=O)[C@@H]([NH3+])COC)O[C@@H](C)C2 ZINC000159424681 362321432 /nfs/dbraw/zinc/32/14/32/362321432.db2.gz QVHZLNPYSRKMBE-ONGXEEELSA-N 1 0 294.351 1.321 20 70 CDIDRO CN(Cc1noc(-c2ccccc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000160133818 362397069 /nfs/dbraw/zinc/39/70/69/362397069.db2.gz LQYZNOVFQZBKKY-ZDUSSCGKSA-N 1 0 272.352 1.906 20 70 CDIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)C[NH2+]C)ccc2NC1=O ZINC000161371986 362801175 /nfs/dbraw/zinc/80/11/75/362801175.db2.gz LHHOCDBMIKJSCL-JOYOIKCWSA-N 1 0 291.351 1.193 20 70 CDIDRO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159586784 363013592 /nfs/dbraw/zinc/01/35/92/363013592.db2.gz LWNNRGFJNLZIHG-WCQYABFASA-N 1 0 254.374 1.450 20 70 CDIDRO CC(C)CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)C(C)C ZINC000159630868 363086300 /nfs/dbraw/zinc/08/63/00/363086300.db2.gz GIKITILMZPLNFW-GJZGRUSLSA-N 1 0 284.444 1.972 20 70 CDIDRO COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160117439 188455713 /nfs/dbraw/zinc/45/57/13/188455713.db2.gz WCDMEAQGWGTWAG-CYZMBNFOSA-N 1 0 262.353 2.000 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000160141653 188457132 /nfs/dbraw/zinc/45/71/32/188457132.db2.gz KNBJEEFYAFVLLG-ZDUSSCGKSA-N 1 0 288.326 1.575 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000160481071 188475859 /nfs/dbraw/zinc/47/58/59/188475859.db2.gz XSBBZSQBUPRUPE-MCIONIFRSA-N 1 0 262.328 1.750 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000160334843 358178748 /nfs/dbraw/zinc/17/87/48/358178748.db2.gz MLPNDGIDPFUGRE-AWEZNQCLSA-N 1 0 277.368 1.981 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C[NH3+] ZINC000161056925 360494922 /nfs/dbraw/zinc/49/49/22/360494922.db2.gz ABRDJFTVLSKKNW-PELKAZGASA-N 1 0 256.733 1.491 20 70 CDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CN(C)C ZINC000159371244 364192871 /nfs/dbraw/zinc/19/28/71/364192871.db2.gz VQXCUZFTEBGLFK-ZFWWWQNUSA-N 1 0 275.396 1.185 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159500818 364222072 /nfs/dbraw/zinc/22/20/72/364222072.db2.gz XQMRPNGNFBJSRK-NSHDSACASA-N 1 0 291.380 1.491 20 70 CDIDRO Cc1c([C@@H](C)[NH2+]CCO)nnn1-c1cccc(Cl)c1 ZINC000159674559 364249826 /nfs/dbraw/zinc/24/98/26/364249826.db2.gz USSGOPCSSZAWPX-SECBINFHSA-N 1 0 280.759 1.872 20 70 CDIDRO CC[C@H](C(=O)Nc1nc(-c2cnn(C)c2)cs1)[NH+](C)C ZINC000159542721 364229902 /nfs/dbraw/zinc/22/99/02/364229902.db2.gz UXKMRRZXYFRGBJ-LLVKDONJSA-N 1 0 293.396 1.822 20 70 CDIDRO CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160278212 364327359 /nfs/dbraw/zinc/32/73/59/364327359.db2.gz KOOPWUCRWYNCDH-CYBMUJFWSA-N 1 0 275.352 1.598 20 70 CDIDRO [NH3+]CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160383334 364343711 /nfs/dbraw/zinc/34/37/11/364343711.db2.gz AEXGWPUNRPPNSH-GFCCVEGCSA-N 1 0 250.317 1.566 20 70 CDIDRO Cc1conc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159993629 364290548 /nfs/dbraw/zinc/29/05/48/364290548.db2.gz ZUTISCKFJQLSNE-UHFFFAOYSA-N 1 0 296.371 1.157 20 70 CDIDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)O ZINC000160583874 364377408 /nfs/dbraw/zinc/37/74/08/364377408.db2.gz UVXVIAPNYJQNFD-VIFPVBQESA-N 1 0 285.775 1.813 20 70 CDIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(-n2cnnn2)cc1 ZINC000160644785 364387758 /nfs/dbraw/zinc/38/77/58/364387758.db2.gz BBJDEZCAHBQASR-SNVBAGLBSA-N 1 0 261.329 1.084 20 70 CDIDRO CN1CCc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2C1=O ZINC000160795302 364411540 /nfs/dbraw/zinc/41/15/40/364411540.db2.gz WQPPHSJAPKJYJD-MRXNPFEDSA-N 1 0 287.363 1.253 20 70 CDIDRO C[N@H+](CCNC(=O)C[C@@H]1COC(=O)C1)Cc1ccccc1 ZINC000161456795 364494785 /nfs/dbraw/zinc/49/47/85/364494785.db2.gz SIZOAVMILSEXLO-AWEZNQCLSA-N 1 0 290.363 1.188 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000161226713 367697764 /nfs/dbraw/zinc/69/77/64/367697764.db2.gz FUMGBBNXNIPGQD-GFCCVEGCSA-N 1 0 291.395 1.895 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)C1(CCOC)CCC1 ZINC000160524658 377085231 /nfs/dbraw/zinc/08/52/31/377085231.db2.gz DGUVGOSBANQTBH-UHFFFAOYSA-N 1 0 256.390 1.827 20 70 CDIDRO Cc1ccc2nc(NC(=O)CN(C)C[C@H](C)O)sc2c1 ZINC000159448804 390975389 /nfs/dbraw/zinc/97/53/89/390975389.db2.gz NXIBFNNAGPDHID-JTQLQIEISA-N 1 0 293.392 1.856 20 70 CDIDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000217594568 391140846 /nfs/dbraw/zinc/14/08/46/391140846.db2.gz MIQQMTYUSZZSKM-VGVVRCBHSA-N 1 0 288.347 1.768 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1 ZINC000159892565 139906155 /nfs/dbraw/zinc/90/61/55/139906155.db2.gz CFDMQBHXOHCIRW-AAEUAGOBSA-N 1 0 275.352 1.272 20 70 CDIDRO CN(CC(=O)Nc1cc(F)ccc1F)[C@H](C[NH3+])C1CC1 ZINC000160085228 139909523 /nfs/dbraw/zinc/90/95/23/139909523.db2.gz KHUOEMSNEHUIEI-CYBMUJFWSA-N 1 0 283.322 1.572 20 70 CDIDRO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000217615587 140164989 /nfs/dbraw/zinc/16/49/89/140164989.db2.gz ZOTVFEXBBIXCOX-HZSPNIEDSA-N 1 0 268.401 1.480 20 70 CDIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)[C@@H]1CCOC1 ZINC000160509280 276534211 /nfs/dbraw/zinc/53/42/11/276534211.db2.gz FNGLPUFAFNPWGG-JHJVBQTASA-N 1 0 264.373 1.306 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000159556907 279844282 /nfs/dbraw/zinc/84/42/82/279844282.db2.gz POOJKFOEOFHEIY-MELADBBJSA-N 1 0 280.412 1.983 20 70 CDIDRO COc1ccc(/C=C\C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000217533196 280088810 /nfs/dbraw/zinc/08/88/10/280088810.db2.gz NONBTMYGSDXLRG-DEBLGDTFSA-N 1 0 274.364 1.906 20 70 CDIDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000160359159 289273085 /nfs/dbraw/zinc/27/30/85/289273085.db2.gz SVVXKIHNUYIOIS-WDEREUQCSA-N 1 0 250.317 1.879 20 70 CDIDRO COC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160573503 292790950 /nfs/dbraw/zinc/79/09/50/292790950.db2.gz TZQWJIWHFFLVBQ-JTQLQIEISA-N 1 0 275.345 1.224 20 70 CDIDRO COC[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160784198 293035708 /nfs/dbraw/zinc/03/57/08/293035708.db2.gz QLFNYHHTVZAKKI-ZFWWWQNUSA-N 1 0 276.380 1.975 20 70 CDIDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160158502 482786204 /nfs/dbraw/zinc/78/62/04/482786204.db2.gz FNKMQJKJUWLSTR-CQSZACIVSA-N 1 0 281.396 1.651 20 70 CDIDRO CCc1ccccc1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000160372319 521835920 /nfs/dbraw/zinc/83/59/20/521835920.db2.gz UUTBWFNLQAJZMW-AWEZNQCLSA-N 1 0 250.317 1.567 20 70 CDIDRO COc1cc(NC(=O)C[C@@H]2COCC[NH2+]2)ccc1F ZINC000160358517 522670125 /nfs/dbraw/zinc/67/01/25/522670125.db2.gz WPQRWHOBJPBACG-SNVBAGLBSA-N 1 0 268.288 1.151 20 70 CDIDRO CN(CCC[NH+]1CCCCC1)CC(=O)NC1CC1 ZINC000161257235 522750825 /nfs/dbraw/zinc/75/08/25/522750825.db2.gz VMBAPMQOCUYMNX-UHFFFAOYSA-N 1 0 253.390 1.073 20 70 CDIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161073206 523664668 /nfs/dbraw/zinc/66/46/68/523664668.db2.gz SMLFKQILTCNJQI-HUUCEWRRSA-N 1 0 270.417 1.192 20 70 CDIDRO CC[C@@H](Oc1ccccc1F)C(=O)NCC(C)(C)[NH3+] ZINC000160123073 529249609 /nfs/dbraw/zinc/24/96/09/529249609.db2.gz NVVOVUDNTUXDCH-LLVKDONJSA-N 1 0 268.332 1.837 20 70 CDIDRO CC[C@H](C)c1cc(C(=O)N2CCC[C@H]2C[NH3+])on1 ZINC000160182318 529271468 /nfs/dbraw/zinc/27/14/68/529271468.db2.gz SAEIKDMEBAESJQ-UWVGGRQHSA-N 1 0 251.330 1.751 20 70 CDIDRO CN(C(=O)[C@@H]1COc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159889754 342072799 /nfs/dbraw/zinc/07/27/99/342072799.db2.gz ZRNWRHOPYUQRSC-CHWSQXEVSA-N 1 0 260.337 1.358 20 70 CDIDRO CC[C@H](COC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159889676 361903588 /nfs/dbraw/zinc/90/35/88/361903588.db2.gz BUUNLUJRUQXQIC-GFCCVEGCSA-N 1 0 257.378 1.149 20 70 CDIDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000159965629 361973735 /nfs/dbraw/zinc/97/37/35/361973735.db2.gz WYHJFKCBGVWDQQ-MRVPVSSYSA-N 1 0 272.295 1.586 20 70 CDIDRO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160825845 539116920 /nfs/dbraw/zinc/11/69/20/539116920.db2.gz GDHIBIWVJMOEIV-MFKMUULPSA-N 1 0 256.390 1.382 20 70 CDIDRO CC[C@@](C)(O)C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000160447751 529507856 /nfs/dbraw/zinc/50/78/56/529507856.db2.gz DGOCAUNPIONJSB-CQSZACIVSA-N 1 0 250.342 1.718 20 70 CDIDRO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CCOCC1 ZINC000160826366 342377966 /nfs/dbraw/zinc/37/79/66/342377966.db2.gz RFPBLUBTHHNGGS-LRDDRELGSA-N 1 0 288.391 1.805 20 70 CDIDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000160817200 362180034 /nfs/dbraw/zinc/18/00/34/362180034.db2.gz QKTKSUZXYJEOFH-STQMWFEESA-N 1 0 256.390 1.384 20 70 CDIDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000159981497 362385659 /nfs/dbraw/zinc/38/56/59/362385659.db2.gz RJRWTAFKUDLMFF-NSHDSACASA-N 1 0 264.325 1.218 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160092642 362393534 /nfs/dbraw/zinc/39/35/34/362393534.db2.gz JZSRMQCXJCHAPK-CQSZACIVSA-N 1 0 261.369 1.603 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000161013255 362480663 /nfs/dbraw/zinc/48/06/63/362480663.db2.gz QJTLPKHRORONCN-AWEZNQCLSA-N 1 0 290.411 1.574 20 70 CDIDRO COc1ccc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980887 362582808 /nfs/dbraw/zinc/58/28/08/362582808.db2.gz LJWXLCHTWBNPTR-UKRRQHHQSA-N 1 0 264.369 1.633 20 70 CDIDRO CCCCOCCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000161383483 362914619 /nfs/dbraw/zinc/91/46/19/362914619.db2.gz YAVPOPLSBIWMRW-CYBMUJFWSA-N 1 0 268.401 1.699 20 70 CDIDRO COc1cc(C(=O)NCC(C)(C)[NH3+])ccc1OC(F)F ZINC000160105210 188456415 /nfs/dbraw/zinc/45/64/15/188456415.db2.gz BUKJOYCJRMPMEY-UHFFFAOYSA-N 1 0 288.294 1.764 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159808075 363329890 /nfs/dbraw/zinc/32/98/90/363329890.db2.gz JLEPRCIHMJGSPG-QWRGUYRKSA-N 1 0 259.419 1.379 20 70 CDIDRO CC[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000159879488 363400755 /nfs/dbraw/zinc/40/07/55/363400755.db2.gz UGKNQTUDSGBKSW-AWEZNQCLSA-N 1 0 269.389 1.027 20 70 CDIDRO [NH3+]C1(CNC(=O)[C@@H]2COc3ccccc3O2)CCCCC1 ZINC000159653674 283405918 /nfs/dbraw/zinc/40/59/18/283405918.db2.gz RAMJHJTXMVNBQJ-AWEZNQCLSA-N 1 0 290.363 1.604 20 70 CDIDRO CCn1nc(C)c(NC(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000160326417 237173580 /nfs/dbraw/zinc/17/35/80/237173580.db2.gz HPCRCIJUCOXJQI-NSHDSACASA-N 1 0 250.346 1.600 20 70 CDIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H](O)COC)c1ccccc1 ZINC000159545682 364231638 /nfs/dbraw/zinc/23/16/38/364231638.db2.gz QLXFHIKZYLRRFT-HUUCEWRRSA-N 1 0 294.395 1.193 20 70 CDIDRO COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)c(C)c1 ZINC000159826066 364270537 /nfs/dbraw/zinc/27/05/37/364270537.db2.gz ZYMXGCPRTIHLFL-AWEZNQCLSA-N 1 0 290.363 1.167 20 70 CDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000160221239 364320781 /nfs/dbraw/zinc/32/07/81/364320781.db2.gz OSAQCAUXNFOBTQ-ZDMBXUJBSA-N 1 0 267.373 1.712 20 70 CDIDRO CCc1ncnc(N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c1F ZINC000159898373 364279262 /nfs/dbraw/zinc/27/92/62/364279262.db2.gz MEVJFLJTRNWFPX-VXGBXAGGSA-N 1 0 296.390 1.460 20 70 CDIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)CO)c1ccccc1 ZINC000160529946 364367961 /nfs/dbraw/zinc/36/79/61/364367961.db2.gz BPPDXLNKWUSIKS-DZGCQCFKSA-N 1 0 278.396 1.814 20 70 CDIDRO COC(=O)NCc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160957161 364432828 /nfs/dbraw/zinc/43/28/28/364432828.db2.gz LNVWVHPOGRZOCZ-LBPRGKRZSA-N 1 0 291.351 1.481 20 70 CDIDRO C[C@@H](CNC(=O)c1ccc(C(N)=S)cc1)[N@H+](C)C1CC1 ZINC000218157101 367261215 /nfs/dbraw/zinc/26/12/15/367261215.db2.gz GOYFYSKMYSZOLT-JTQLQIEISA-N 1 0 291.420 1.533 20 70 CDIDRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)nn1 ZINC000160058390 377000060 /nfs/dbraw/zinc/00/00/60/377000060.db2.gz RBSVSRAMPLXWKC-UHFFFAOYSA-N 1 0 292.383 1.432 20 70 CDIDRO COCC[NH2+]CC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160556324 377086456 /nfs/dbraw/zinc/08/64/56/377086456.db2.gz UPADMCYBWUGPHH-ZDUSSCGKSA-N 1 0 294.395 1.541 20 70 CDIDRO C[NH+]1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161230475 377198706 /nfs/dbraw/zinc/19/87/06/377198706.db2.gz XLFXKKADZDIGRW-LBPRGKRZSA-N 1 0 271.405 1.177 20 70 CDIDRO CCN1CCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205777 377478651 /nfs/dbraw/zinc/47/86/51/377478651.db2.gz SYDHXWIBRNTQPB-YMAMQOFZSA-N 1 0 267.417 1.508 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cncn3)cc2C)C1 ZINC000160810616 532969126 /nfs/dbraw/zinc/96/91/26/532969126.db2.gz OSKSEKJLXDQTPE-GFCCVEGCSA-N 1 0 285.351 1.010 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C12CCCCC2 ZINC000161181209 390955496 /nfs/dbraw/zinc/95/54/96/390955496.db2.gz RZJIDFPWTNRKSJ-IHRRRGAJSA-N 1 0 296.411 1.219 20 70 CDIDRO COc1cccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159908126 139906811 /nfs/dbraw/zinc/90/68/11/139906811.db2.gz NCWWHRNHQCTHQZ-ZDUSSCGKSA-N 1 0 263.341 1.896 20 70 CDIDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217490831 287139945 /nfs/dbraw/zinc/13/99/45/287139945.db2.gz KASWEFZDILCIGM-WCQYABFASA-N 1 0 282.409 1.574 20 70 CDIDRO COc1cc(NC(=O)N2CC[NH2+]CC2)cc(OC)c1 ZINC000217273704 260092259 /nfs/dbraw/zinc/09/22/59/260092259.db2.gz ZBHXOFKJZWTNKP-UHFFFAOYSA-N 1 0 265.313 1.141 20 70 CDIDRO CC(C)C[C@H]1COCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159631092 424144392 /nfs/dbraw/zinc/14/43/92/424144392.db2.gz BQDGSNJOYKOLNB-OLZOCXBDSA-N 1 0 254.374 1.260 20 70 CDIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)CC(N)=O)CC2 ZINC000161358387 274125488 /nfs/dbraw/zinc/12/54/88/274125488.db2.gz UKSVJXNWRMCWNE-GWCFXTLKSA-N 1 0 262.353 1.406 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000159835312 278223768 /nfs/dbraw/zinc/22/37/68/278223768.db2.gz XPRIDRFWKZHZEQ-NRUUGDAUSA-N 1 0 282.771 1.976 20 70 CDIDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2cscn2)C1 ZINC000159414044 292758870 /nfs/dbraw/zinc/75/88/70/292758870.db2.gz IUIOSMZZHDZESL-ZDUSSCGKSA-N 1 0 296.440 1.811 20 70 CDIDRO NC(=O)[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000160492766 295147854 /nfs/dbraw/zinc/14/78/54/295147854.db2.gz WCAUNHUCXUABAV-CYBMUJFWSA-N 1 0 253.390 1.202 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000159433919 482665179 /nfs/dbraw/zinc/66/51/79/482665179.db2.gz CVZIZKHJGIGNGU-NSHDSACASA-N 1 0 290.285 1.638 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000161338500 482874937 /nfs/dbraw/zinc/87/49/37/482874937.db2.gz MRLDBXWLNIBVKY-WDEREUQCSA-N 1 0 268.307 1.893 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC000160367192 519851529 /nfs/dbraw/zinc/85/15/29/519851529.db2.gz DTEHBNZWMKUGLC-UHFFFAOYSA-N 1 0 254.359 1.096 20 70 CDIDRO CCNC(=O)C[NH2+]Cc1cncc(Br)c1 ZINC000160562048 521738287 /nfs/dbraw/zinc/73/82/87/521738287.db2.gz FJWJOIVEEWWLOT-UHFFFAOYSA-N 1 0 272.146 1.070 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161497597 522827341 /nfs/dbraw/zinc/82/73/41/522827341.db2.gz ISHWQQQLXNHVOC-AWEZNQCLSA-N 1 0 298.314 1.353 20 70 CDIDRO c1ncn([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000160981194 526618409 /nfs/dbraw/zinc/61/84/09/526618409.db2.gz ZNYVQSKCKCYFRL-HNNXBMFYSA-N 1 0 277.416 1.791 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161006881 529222112 /nfs/dbraw/zinc/22/21/12/529222112.db2.gz HMFDHRFJURCZKS-HUUCEWRRSA-N 1 0 299.459 1.957 20 70 CDIDRO CC[N@H+](CCNCc1cnc(N(C)C)n1C)C1CC1 ZINC000217413137 535736416 /nfs/dbraw/zinc/73/64/16/535736416.db2.gz HTSJZYJDMZEWIZ-UHFFFAOYSA-N 1 0 265.405 1.060 20 70 CDIDRO COC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000159620470 361756819 /nfs/dbraw/zinc/75/68/19/361756819.db2.gz ZOYLLZASJZUVMI-LBPRGKRZSA-N 1 0 273.336 1.719 20 70 CDIDRO CN(CCCn1c2ccccc2[nH]c1=O)[C@@H](C[NH3+])C1CC1 ZINC000160062808 342072919 /nfs/dbraw/zinc/07/29/19/342072919.db2.gz CPVHCBFEXRJNQE-HNNXBMFYSA-N 1 0 288.395 1.389 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2C)CCOC1 ZINC000160350136 342072973 /nfs/dbraw/zinc/07/29/73/342072973.db2.gz VQMRATQROFDHQL-ZBFHGGJFSA-N 1 0 295.379 1.130 20 70 CDIDRO CCN(CCCO)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000160484994 539115945 /nfs/dbraw/zinc/11/59/45/539115945.db2.gz RKUAVOZWVQEMJJ-UHFFFAOYSA-N 1 0 282.384 1.966 20 70 CDIDRO CC1(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000161400483 539117598 /nfs/dbraw/zinc/11/75/98/539117598.db2.gz DHNOZSHFLMTHNP-GFCCVEGCSA-N 1 0 251.374 1.713 20 70 CDIDRO COc1ccc(F)cc1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000217173652 342439341 /nfs/dbraw/zinc/43/93/41/342439341.db2.gz OKPAXGOLAHYPJT-SNVBAGLBSA-N 1 0 266.316 1.197 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245036 362182808 /nfs/dbraw/zinc/18/28/08/362182808.db2.gz HWCLCLXFSSFXBM-UMNHJUIQSA-N 1 0 250.317 1.877 20 70 CDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cccc1 ZINC000159412199 362320231 /nfs/dbraw/zinc/32/02/31/362320231.db2.gz VZRQLDFKIMACLG-HNNXBMFYSA-N 1 0 293.411 1.495 20 70 CDIDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCNC(=O)C1CC1)CC2 ZINC000159553289 362342091 /nfs/dbraw/zinc/34/20/91/362342091.db2.gz OKBFYEGIIFQWFO-HNNXBMFYSA-N 1 0 288.391 1.668 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(N(C)C)cn1 ZINC000161274562 362382330 /nfs/dbraw/zinc/38/23/30/362382330.db2.gz DXWOSFGALATVRN-UHFFFAOYSA-N 1 0 264.373 1.851 20 70 CDIDRO CCOc1cc(C[NH2+]C[C@@]2(OC)CCOC2)ccc1O ZINC000160139667 362396733 /nfs/dbraw/zinc/39/67/33/362396733.db2.gz AOADWRUNAWXZID-HNNXBMFYSA-N 1 0 281.352 1.686 20 70 CDIDRO CNC(=O)CC[NH2+]Cc1cncc(Br)c1 ZINC000160570119 362446316 /nfs/dbraw/zinc/44/63/16/362446316.db2.gz VWDPTTCGDIUTJK-UHFFFAOYSA-N 1 0 272.146 1.070 20 70 CDIDRO CCCN(CCO)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160927880 362553388 /nfs/dbraw/zinc/55/33/88/362553388.db2.gz PMRKBXRVDDPREX-OAHLLOKOSA-N 1 0 299.459 1.911 20 70 CDIDRO CCCN(CCC)C(=O)CN(CC)Cc1cnn(C)c1 ZINC000161094957 362587150 /nfs/dbraw/zinc/58/71/50/362587150.db2.gz FBITXUROWVIZPM-UHFFFAOYSA-N 1 0 280.416 1.891 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000161360868 362794112 /nfs/dbraw/zinc/79/41/12/362794112.db2.gz NIXOSBSYZVNAQK-CYBMUJFWSA-N 1 0 292.379 1.580 20 70 CDIDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Br)cn1 ZINC000161441851 362986762 /nfs/dbraw/zinc/98/67/62/362986762.db2.gz FEQCVSRBVYVDBY-QMMMGPOBSA-N 1 0 259.147 1.657 20 70 CDIDRO CCOCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000159712916 363220569 /nfs/dbraw/zinc/22/05/69/363220569.db2.gz WJXLLSHWVVTBMO-CYBMUJFWSA-N 1 0 283.416 1.587 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC000160711201 188487965 /nfs/dbraw/zinc/48/79/65/188487965.db2.gz VHOXFEKYKSNPJX-LBPRGKRZSA-N 1 0 268.307 1.718 20 70 CDIDRO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000161218246 358791985 /nfs/dbraw/zinc/79/19/85/358791985.db2.gz LNZWLWLPEAQTJE-UPJWGTAASA-N 1 0 262.357 1.093 20 70 CDIDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(F)c1 ZINC000217582214 359011931 /nfs/dbraw/zinc/01/19/31/359011931.db2.gz GIFIPTZGJFDRBF-RYUDHWBXSA-N 1 0 263.316 1.577 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124079 237168560 /nfs/dbraw/zinc/16/85/60/237168560.db2.gz GKKQEQBCEWMYDS-WFASDCNBSA-N 1 0 276.380 1.934 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082789 296013836 /nfs/dbraw/zinc/01/38/36/296013836.db2.gz LAUAIKCTWACRTE-RXMQYKEDSA-N 1 0 278.196 1.677 20 70 CDIDRO CC[C@@H](NC[C@@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483369 361711675 /nfs/dbraw/zinc/71/16/75/361711675.db2.gz DJSXBLXRKAGBPH-ZIAGYGMSSA-N 1 0 286.416 1.275 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000160278477 363806865 /nfs/dbraw/zinc/80/68/65/363806865.db2.gz CUEVEGBSMDBIAK-YVARQFDVSA-N 1 0 272.348 1.584 20 70 CDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000160601770 364083641 /nfs/dbraw/zinc/08/36/41/364083641.db2.gz GODUSHDUIGWJJE-QWRGUYRKSA-N 1 0 258.362 1.032 20 70 CDIDRO O=C(N1CC[NH2+]CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000159373847 364193539 /nfs/dbraw/zinc/19/35/39/364193539.db2.gz HZMRMZWUHQMRGE-UHFFFAOYSA-N 1 0 292.354 1.306 20 70 CDIDRO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159394040 364198842 /nfs/dbraw/zinc/19/88/42/364198842.db2.gz KQBJKDZGIKPWAT-KGLIPLIRSA-N 1 0 278.396 1.355 20 70 CDIDRO Cc1ccc2ncc(C[NH+]3CCC(CC(N)=O)CC3)n2c1 ZINC000159844608 364273398 /nfs/dbraw/zinc/27/33/98/364273398.db2.gz LBYJWLXPPZYTTH-UHFFFAOYSA-N 1 0 286.379 1.730 20 70 CDIDRO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000160322057 364333984 /nfs/dbraw/zinc/33/39/84/364333984.db2.gz RIZWRJSPQUTHEP-GHMZBOCLSA-N 1 0 250.317 1.879 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159896814 364277809 /nfs/dbraw/zinc/27/78/09/364277809.db2.gz GQAGEWLPZGDASY-JQWIXIFHSA-N 1 0 263.341 1.113 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000159985435 364290786 /nfs/dbraw/zinc/29/07/86/364290786.db2.gz AXYFSVVOHSIWBC-UHFFFAOYSA-N 1 0 298.390 1.828 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000160072387 364302066 /nfs/dbraw/zinc/30/20/66/364302066.db2.gz WEHSESLDBHKMEU-GFCCVEGCSA-N 1 0 298.333 1.541 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160417650 364349650 /nfs/dbraw/zinc/34/96/50/364349650.db2.gz NWLRSHRRBNPHLC-NSHDSACASA-N 1 0 261.325 1.637 20 70 CDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000161125325 364451974 /nfs/dbraw/zinc/45/19/74/364451974.db2.gz YLWMTXMGSNMUOT-UHFFFAOYSA-N 1 0 299.396 1.514 20 70 CDIDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000160916555 364426979 /nfs/dbraw/zinc/42/69/79/364426979.db2.gz KBBQRPFKYXNTME-GFCCVEGCSA-N 1 0 297.305 1.557 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@H]2OCCc3ccccc32)CCOC1 ZINC000160267193 370085131 /nfs/dbraw/zinc/08/51/31/370085131.db2.gz BKOTYSPQSIWCEV-HZPDHXFCSA-N 1 0 277.364 1.696 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449291 375369981 /nfs/dbraw/zinc/36/99/81/375369981.db2.gz LEJUYYHOICIBKF-JQWIXIFHSA-N 1 0 278.327 1.594 20 70 CDIDRO CSC[C@@](C)(O)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000217849729 375748687 /nfs/dbraw/zinc/74/86/87/375748687.db2.gz RNCBMIFVVTUVDV-AWEZNQCLSA-N 1 0 279.409 1.777 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2cccc(C)c2)C1 ZINC000160611347 533030827 /nfs/dbraw/zinc/03/08/27/533030827.db2.gz NSNUQFNWOSTPBN-AWEZNQCLSA-N 1 0 276.380 1.974 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)CCOc2ccccc2)C1 ZINC000160770147 533036748 /nfs/dbraw/zinc/03/67/48/533036748.db2.gz OTDYMVXRMPKADN-KGLIPLIRSA-N 1 0 276.380 1.912 20 70 CDIDRO CN(CC(=O)N1CCc2sccc2C1)[C@@H](C[NH3+])C1CC1 ZINC000159975480 391155346 /nfs/dbraw/zinc/15/53/46/391155346.db2.gz CWPVQXBTQZZAHO-ZDUSSCGKSA-N 1 0 293.436 1.302 20 70 CDIDRO COc1cc(C[NH2+]C[C@H](C)N(C)C2CC2)cc(OC)c1O ZINC000217610191 392963021 /nfs/dbraw/zinc/96/30/21/392963021.db2.gz ISJHBJCJHJJVET-NSHDSACASA-N 1 0 294.395 1.982 20 70 CDIDRO CC(C)C[C@@H](C(=O)NCC(C)(C)[NH3+])N1CCCCC1=O ZINC000160100911 139909632 /nfs/dbraw/zinc/90/96/32/139909632.db2.gz KJMVOVCAGUFOHH-LBPRGKRZSA-N 1 0 283.416 1.267 20 70 CDIDRO C[C@@H](O)C[C@H]1CCCCN1Cc1nnc2n1CCCC2 ZINC000217323384 140162913 /nfs/dbraw/zinc/16/29/13/140162913.db2.gz GNLXXCBNZHIUKZ-CHWSQXEVSA-N 1 0 278.400 1.740 20 70 CDIDRO CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000218002361 140164850 /nfs/dbraw/zinc/16/48/50/140164850.db2.gz IXUJQEXEYUOCFL-STQMWFEESA-N 1 0 253.390 1.911 20 70 CDIDRO O=C(NC[C@@H]1CCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000159733024 147704396 /nfs/dbraw/zinc/70/43/96/147704396.db2.gz FIVMLWCGTOHWDX-KBPBESRZSA-N 1 0 258.365 1.832 20 70 CDIDRO CCOCCC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000159638993 286057359 /nfs/dbraw/zinc/05/73/59/286057359.db2.gz IDDVXKWPMOSBNC-OWCLPIDISA-N 1 0 284.444 1.987 20 70 CDIDRO COC[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000159596600 277265980 /nfs/dbraw/zinc/26/59/80/277265980.db2.gz RSVQPWDTOCZWSR-XJKSGUPXSA-N 1 0 288.391 1.586 20 70 CDIDRO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000159587048 292762418 /nfs/dbraw/zinc/76/24/18/292762418.db2.gz LWNNRGFJNLZIHG-DGCLKSJQSA-N 1 0 254.374 1.450 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC)cc1 ZINC000161365378 292804657 /nfs/dbraw/zinc/80/46/57/292804657.db2.gz DFKPNWVMXKKMIG-CYBMUJFWSA-N 1 0 291.351 1.689 20 70 CDIDRO CO[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000159490136 482671901 /nfs/dbraw/zinc/67/19/01/482671901.db2.gz KEYIRYUSFHLYMT-QWHCGFSZSA-N 1 0 282.771 1.896 20 70 CDIDRO CCCn1nccc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000160083639 482780981 /nfs/dbraw/zinc/78/09/81/482780981.db2.gz BYTAOKMSCBDGMK-UHFFFAOYSA-N 1 0 290.411 1.784 20 70 CDIDRO CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C[NH3+])C1CC1 ZINC000160121082 482785082 /nfs/dbraw/zinc/78/50/82/482785082.db2.gz GMTYXQMGHSAMMB-ZDUSSCGKSA-N 1 0 272.352 1.092 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000160144525 482786137 /nfs/dbraw/zinc/78/61/37/482786137.db2.gz WLPGMWZXUIKRBA-OAHLLOKOSA-N 1 0 273.380 1.986 20 70 CDIDRO CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000160861776 482832960 /nfs/dbraw/zinc/83/29/60/482832960.db2.gz IGWDVTHMOAIDBT-VXGBXAGGSA-N 1 0 293.342 1.784 20 70 CDIDRO CCCNC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161056188 482856886 /nfs/dbraw/zinc/85/68/86/482856886.db2.gz HKDIHECBSBFJTD-VXGBXAGGSA-N 1 0 269.389 1.069 20 70 CDIDRO C(CN1CCOC2(CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161417111 518387149 /nfs/dbraw/zinc/38/71/49/518387149.db2.gz SKLWVKYNCGXBJJ-UHFFFAOYSA-N 1 0 282.428 1.744 20 70 CDIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000161510482 521143326 /nfs/dbraw/zinc/14/33/26/521143326.db2.gz GAELBVIAHSVUKX-STQMWFEESA-N 1 0 283.416 1.091 20 70 CDIDRO [NH3+]CC1(C(=O)NCc2cc(=O)[nH]c3ccccc23)CCCC1 ZINC000161046310 534585986 /nfs/dbraw/zinc/58/59/86/534585986.db2.gz QGTXNVZAEIHPLN-UHFFFAOYSA-N 1 0 299.374 1.663 20 70 CDIDRO COc1csc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000161076317 524948497 /nfs/dbraw/zinc/94/84/97/524948497.db2.gz HJSDRYMPYSSHKW-VHSXEESVSA-N 1 0 284.381 1.335 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000160843643 525384452 /nfs/dbraw/zinc/38/44/52/525384452.db2.gz TVSHOFCVXKZGIL-AWEZNQCLSA-N 1 0 262.353 1.634 20 70 CDIDRO CCOCCC[NH+]1CCC(c2nc(C)no2)CC1 ZINC000159496497 528659076 /nfs/dbraw/zinc/65/90/76/528659076.db2.gz SNVPZPHUYCYABF-UHFFFAOYSA-N 1 0 253.346 1.984 20 70 CDIDRO COCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159725239 361813238 /nfs/dbraw/zinc/81/32/38/361813238.db2.gz QUSQMIQYKJMKRW-OLZOCXBDSA-N 1 0 268.401 1.602 20 70 CDIDRO CN(CCCn1c2ccccc2[nH]c1=O)[C@H](C[NH3+])C1CC1 ZINC000160062939 342073006 /nfs/dbraw/zinc/07/30/06/342073006.db2.gz CPVHCBFEXRJNQE-OAHLLOKOSA-N 1 0 288.395 1.389 20 70 CDIDRO O=C(/C=C/c1ccc2c(c1)CCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159772013 361838026 /nfs/dbraw/zinc/83/80/26/361838026.db2.gz ANYMUXRNNBSRHG-LFZXJUCQSA-N 1 0 298.386 1.988 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCOC)CC1 ZINC000159792456 361852652 /nfs/dbraw/zinc/85/26/52/361852652.db2.gz LVSFYMHOUHHKPB-LBPRGKRZSA-N 1 0 257.378 1.149 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cnc2ccccc21 ZINC000161214707 361918942 /nfs/dbraw/zinc/91/89/42/361918942.db2.gz GDRSLZZMJZRNSL-ZDUSSCGKSA-N 1 0 286.379 1.637 20 70 CDIDRO CS(=O)(=O)CCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000161450234 539117783 /nfs/dbraw/zinc/11/77/83/539117783.db2.gz FOCZPTQFXYYZAR-GFCCVEGCSA-N 1 0 275.414 1.312 20 70 CDIDRO CC(C)C[C@H](NC(=O)CC[NH2+]C(C)C)C(=O)OC(C)C ZINC000160146928 342372422 /nfs/dbraw/zinc/37/24/22/342372422.db2.gz OIARLARIEXFKKJ-ZDUSSCGKSA-N 1 0 286.416 1.857 20 70 CDIDRO O=C([C@@H]1CCC[N@H+](Cc2cncs2)C1)N1CCCC1 ZINC000217633062 342439562 /nfs/dbraw/zinc/43/95/62/342439562.db2.gz FNTBFDQOIKEKFG-GFCCVEGCSA-N 1 0 279.409 1.978 20 70 CDIDRO COCCC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159549926 362273062 /nfs/dbraw/zinc/27/30/62/362273062.db2.gz OQVDHGHHKPYNDK-LBPRGKRZSA-N 1 0 266.385 1.404 20 70 CDIDRO COc1ccc(OCC[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000159427833 362320951 /nfs/dbraw/zinc/32/09/51/362320951.db2.gz JXECIMDCWLOIKI-DOMZBBRYSA-N 1 0 265.353 1.777 20 70 CDIDRO COc1c(C)cnc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C ZINC000159438899 362322755 /nfs/dbraw/zinc/32/27/55/362322755.db2.gz PDOOAURFTHBEAL-BXUZGUMPSA-N 1 0 264.369 1.910 20 70 CDIDRO COc1cc(C[NH2+]C[C@@]2(OC)CCOC2)cc(OC)c1O ZINC000160109257 362394908 /nfs/dbraw/zinc/39/49/08/362394908.db2.gz YDARPAPJKOMGII-HNNXBMFYSA-N 1 0 297.351 1.305 20 70 CDIDRO Cc1cc(C)n(CC(=O)NCc2ccc(C[NH3+])cc2)n1 ZINC000159574241 362928210 /nfs/dbraw/zinc/92/82/10/362928210.db2.gz ZDSIZWURDTUFHN-UHFFFAOYSA-N 1 0 272.352 1.275 20 70 CDIDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159623102 363072819 /nfs/dbraw/zinc/07/28/19/363072819.db2.gz PJVSJFPGPLPRAN-GXTWGEPZSA-N 1 0 268.401 1.792 20 70 CDIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(NS(C)(=O)=O)cc1 ZINC000160615883 188483721 /nfs/dbraw/zinc/48/37/21/188483721.db2.gz WWCWPGPSXDYMQW-JTQLQIEISA-N 1 0 286.397 1.480 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+]CC(=O)NC(C)C ZINC000160956637 188500200 /nfs/dbraw/zinc/50/02/00/188500200.db2.gz QDOYMKJLGFANKQ-AWEZNQCLSA-N 1 0 264.369 1.358 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161170977 188512554 /nfs/dbraw/zinc/51/25/54/188512554.db2.gz HCENFBZWSKGBAQ-XJKSGUPXSA-N 1 0 276.380 1.878 20 70 CDIDRO COc1cc(OC)c(NC(=O)C[C@H]2CCC[NH2+]2)cc1F ZINC000161210355 237194782 /nfs/dbraw/zinc/19/47/82/237194782.db2.gz TZXSVGZYTYSGIR-SECBINFHSA-N 1 0 282.315 1.924 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000160206931 283472690 /nfs/dbraw/zinc/47/26/90/283472690.db2.gz XQHKQAJGINBHPC-JTQLQIEISA-N 1 0 289.310 1.231 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C(=O)NC)cc1 ZINC000217395903 360320192 /nfs/dbraw/zinc/32/01/92/360320192.db2.gz CAKDQZAAEJZGFY-CYBMUJFWSA-N 1 0 277.412 1.866 20 70 CDIDRO CN(CC(=O)Nc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160083182 360504558 /nfs/dbraw/zinc/50/45/58/360504558.db2.gz KCKFUWHXVSQVMU-ZDUSSCGKSA-N 1 0 281.787 1.948 20 70 CDIDRO C[C@H](CO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000159508771 361726009 /nfs/dbraw/zinc/72/60/09/361726009.db2.gz XJBINAMOLDCKSV-HIFPTAJRSA-N 1 0 271.405 1.034 20 70 CDIDRO CC1(C)[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]2CCO[C@@H]21 ZINC000161107262 363959441 /nfs/dbraw/zinc/95/94/41/363959441.db2.gz YCGCHJDKRMBYPP-MJBXVCDLSA-N 1 0 274.364 1.689 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159504114 364221877 /nfs/dbraw/zinc/22/18/77/364221877.db2.gz DWAGWBXQIDHJQU-LLVKDONJSA-N 1 0 259.313 1.538 20 70 CDIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@](C)(O)c1ccccc1 ZINC000159587077 364238310 /nfs/dbraw/zinc/23/83/10/364238310.db2.gz DXZCEPGHICZDRO-CWRNSKLLSA-N 1 0 263.381 1.987 20 70 CDIDRO NC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626291 364242719 /nfs/dbraw/zinc/24/27/19/364242719.db2.gz CPCRYUINIJIZDV-ZNMIVQPWSA-N 1 0 286.375 1.833 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000159801845 364266693 /nfs/dbraw/zinc/26/66/93/364266693.db2.gz ALSJLFAIXAMHBA-PWSUYJOCSA-N 1 0 250.317 1.750 20 70 CDIDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000160252006 364325720 /nfs/dbraw/zinc/32/57/20/364325720.db2.gz XPKDXLWCLZKNDT-ZDUSSCGKSA-N 1 0 294.418 1.897 20 70 CDIDRO CCn1nc(C)c(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1C ZINC000160321029 364334158 /nfs/dbraw/zinc/33/41/58/364334158.db2.gz KTUUJNBJJJGBQW-LBPRGKRZSA-N 1 0 280.372 1.227 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000160355353 364339428 /nfs/dbraw/zinc/33/94/28/364339428.db2.gz UGKXGVSVOLSNHF-CYBMUJFWSA-N 1 0 254.374 1.404 20 70 CDIDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159989246 364291397 /nfs/dbraw/zinc/29/13/97/364291397.db2.gz ZYSZURZCZBBECN-ZDUSSCGKSA-N 1 0 276.380 1.882 20 70 CDIDRO Cc1ccc(-c2nc(CC(=O)NCCC[NH3+])cs2)o1 ZINC000160101919 364305391 /nfs/dbraw/zinc/30/53/91/364305391.db2.gz PCWMGRWVUPNWIH-UHFFFAOYSA-N 1 0 279.365 1.719 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160135422 364310911 /nfs/dbraw/zinc/31/09/11/364310911.db2.gz LVNQWUBPCPZPJU-WCQYABFASA-N 1 0 294.782 1.841 20 70 CDIDRO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160515927 364365485 /nfs/dbraw/zinc/36/54/85/364365485.db2.gz UJCZBYOMRXUTGX-VXGBXAGGSA-N 1 0 289.379 1.763 20 70 CDIDRO COCCC1(C(=O)N2CCC(n3ccnc3)CC2)CC1 ZINC000161149993 364454743 /nfs/dbraw/zinc/45/47/43/364454743.db2.gz AZCBWPCIYMXCJG-UHFFFAOYSA-N 1 0 277.368 1.863 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2cccc(C)c2C)C1 ZINC000160792794 364409204 /nfs/dbraw/zinc/40/92/04/364409204.db2.gz IRHKCJFZIAHRBK-CQSZACIVSA-N 1 0 276.380 1.893 20 70 CDIDRO COCC[NH2+]CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000161424921 372797677 /nfs/dbraw/zinc/79/76/77/372797677.db2.gz KMGOHHSVZAHXLW-DZGCQCFKSA-N 1 0 276.380 1.627 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])C(=O)c1cccc(F)c1 ZINC000160185432 377030637 /nfs/dbraw/zinc/03/06/37/377030637.db2.gz CDXWKRLYDBOGKT-SMDDNHRTSA-N 1 0 292.354 1.984 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160337719 377056444 /nfs/dbraw/zinc/05/64/44/377056444.db2.gz SLDKSSQBVDMWHS-ZDUSSCGKSA-N 1 0 276.336 1.218 20 70 CDIDRO CCO[C@H]1C[C@H](N(C)C(=O)C2(OC)CC[NH2+]CC2)C1(C)C ZINC000160504171 377082293 /nfs/dbraw/zinc/08/22/93/377082293.db2.gz VEOHZPNJOHHESA-STQMWFEESA-N 1 0 298.427 1.417 20 70 CDIDRO CC(C)C[C@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000161233507 377199005 /nfs/dbraw/zinc/19/90/05/377199005.db2.gz KVSXDHFUHBLZBQ-CYBMUJFWSA-N 1 0 256.390 1.242 20 70 CDIDRO COc1csc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160380514 533166218 /nfs/dbraw/zinc/16/62/18/533166218.db2.gz DSIIYDLWKYSYFQ-LLVKDONJSA-N 1 0 298.408 1.333 20 70 CDIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC000217095560 390588519 /nfs/dbraw/zinc/58/85/19/390588519.db2.gz VYQQBQHMLKVZHY-MPPDQPJWSA-N 1 0 281.400 1.777 20 70 CDIDRO CC[C@H](C(=O)N[C@@H]1COc2ccc(C)cc21)[NH+](C)C ZINC000161150448 391582213 /nfs/dbraw/zinc/58/22/13/391582213.db2.gz PPVSEDGTMWKOTC-CHWSQXEVSA-N 1 0 262.353 1.885 20 70 CDIDRO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)[C@@H]1C ZINC000160124635 296475297 /nfs/dbraw/zinc/47/52/97/296475297.db2.gz QEVHWZSDDNCLMR-UXOAXIEHSA-N 1 0 281.444 1.596 20 70 CDIDRO CN(CC(=O)Nc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000160150622 392498055 /nfs/dbraw/zinc/49/80/55/392498055.db2.gz ZBOBTKYOOWFVDT-CYBMUJFWSA-N 1 0 281.787 1.948 20 70 CDIDRO CO[C@H](C)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159880774 139906420 /nfs/dbraw/zinc/90/64/20/139906420.db2.gz WDEIUMTYWOBZNI-LLVKDONJSA-N 1 0 254.374 1.402 20 70 CDIDRO CCc1ncnc(N[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000217990186 140165278 /nfs/dbraw/zinc/16/52/78/140165278.db2.gz KIYAZFOTJXZSCC-VIFPVBQESA-N 1 0 250.321 1.827 20 70 CDIDRO CCc1ncnc(NC[C@H]2CCC[N@H+](C)C2)c1F ZINC000218011225 140165471 /nfs/dbraw/zinc/16/54/71/140165471.db2.gz DGOAWTDTZGDVOA-SNVBAGLBSA-N 1 0 252.337 1.932 20 70 CDIDRO CCSCC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000159817938 273711383 /nfs/dbraw/zinc/71/13/83/273711383.db2.gz PVILRHNYQDRCLZ-UHFFFAOYSA-N 1 0 294.424 1.056 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccnc(-n2cccn2)c1 ZINC000161355888 277285202 /nfs/dbraw/zinc/28/52/02/277285202.db2.gz RUSRJLFJUIMZDM-CYBMUJFWSA-N 1 0 285.351 1.091 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2C)[C@@H](C[NH3+])C1 ZINC000161086462 277654370 /nfs/dbraw/zinc/65/43/70/277654370.db2.gz XIJQOFGMBLAHOG-CHWSQXEVSA-N 1 0 262.353 1.573 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159369832 278393821 /nfs/dbraw/zinc/39/38/21/278393821.db2.gz PJTLLJTZDIUSDQ-TZMCWYRMSA-N 1 0 262.353 1.495 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(F)(F)F ZINC000217401649 280099613 /nfs/dbraw/zinc/09/96/13/280099613.db2.gz XBXVQCASRNDORZ-MRVPVSSYSA-N 1 0 255.284 1.578 20 70 CDIDRO OCC1(C[NH2+]C[C@@H](O)COc2ccccc2)CCCC1 ZINC000160135252 292777916 /nfs/dbraw/zinc/77/79/16/292777916.db2.gz SIFZCLYUTLUCJZ-CQSZACIVSA-N 1 0 279.380 1.569 20 70 CDIDRO CC(=O)NC1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC000161353591 292804561 /nfs/dbraw/zinc/80/45/61/292804561.db2.gz LTWSZXAVSXBTGU-UHFFFAOYSA-N 1 0 276.380 1.716 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3c1cnn3C)CC2 ZINC000160563294 293543351 /nfs/dbraw/zinc/54/33/51/293543351.db2.gz FAXXFQHCOBIBQJ-AAEUAGOBSA-N 1 0 286.383 1.302 20 70 CDIDRO CCCn1nccc1C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000160202352 482788589 /nfs/dbraw/zinc/78/85/89/482788589.db2.gz YRVWPNZGUDHGJB-LLVKDONJSA-N 1 0 266.389 1.686 20 70 CDIDRO COc1ccccc1OCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160956160 482845522 /nfs/dbraw/zinc/84/55/22/482845522.db2.gz HLLWRHTVSLFCJY-QWHCGFSZSA-N 1 0 292.379 1.850 20 70 CDIDRO COc1ccccc1OCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160956565 482845553 /nfs/dbraw/zinc/84/55/53/482845553.db2.gz HLLWRHTVSLFCJY-OLZOCXBDSA-N 1 0 292.379 1.850 20 70 CDIDRO CCOc1ccc(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161386603 482875972 /nfs/dbraw/zinc/87/59/72/482875972.db2.gz PTKVPYMSOVLBCW-CHWSQXEVSA-N 1 0 292.379 1.850 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000161506201 482881036 /nfs/dbraw/zinc/88/10/36/482881036.db2.gz XQVIUXQSBKBFIW-ZYHUDNBSSA-N 1 0 261.325 1.011 20 70 CDIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000161182789 521602671 /nfs/dbraw/zinc/60/26/71/521602671.db2.gz GLFXKDPVFKWWRQ-JSGCOSHPSA-N 1 0 250.390 1.945 20 70 CDIDRO C[C@]1(C(=O)NC[C@@H](O)C2CCCCC2)CCC[NH2+]C1 ZINC000161438741 525206161 /nfs/dbraw/zinc/20/61/61/525206161.db2.gz JDKCCVOKWJTYPP-HIFRSBDPSA-N 1 0 268.401 1.434 20 70 CDIDRO C[C@H](C(N)=O)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161239194 526192691 /nfs/dbraw/zinc/19/26/91/526192691.db2.gz NLJMDTXGPVAGHM-GFCCVEGCSA-N 1 0 286.379 1.815 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000160452469 527248977 /nfs/dbraw/zinc/24/89/77/527248977.db2.gz BDRXRVUZSLLWCS-HIFRSBDPSA-N 1 0 294.326 1.494 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000160452850 527250518 /nfs/dbraw/zinc/25/05/18/527250518.db2.gz BDRXRVUZSLLWCS-DZGCQCFKSA-N 1 0 294.326 1.494 20 70 CDIDRO O=C(Cc1cccc(F)c1)NCC1CC[NH+](CCO)CC1 ZINC000160552663 527263573 /nfs/dbraw/zinc/26/35/73/527263573.db2.gz RGXOQXOOHXNJMP-UHFFFAOYSA-N 1 0 294.370 1.189 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000161117436 535455792 /nfs/dbraw/zinc/45/57/92/535455792.db2.gz YZXLGMQSQPYENF-LBPRGKRZSA-N 1 0 297.443 1.385 20 70 CDIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000159562294 361738261 /nfs/dbraw/zinc/73/82/61/361738261.db2.gz WLCTWUHNLXOBBX-JQWIXIFHSA-N 1 0 276.336 1.501 20 70 CDIDRO COC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000159642695 361759720 /nfs/dbraw/zinc/75/97/20/361759720.db2.gz HLOMQKMVZDULKY-LBPRGKRZSA-N 1 0 296.392 1.421 20 70 CDIDRO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000161158265 361900706 /nfs/dbraw/zinc/90/07/06/361900706.db2.gz XBXIGCGAPSXNLP-VXGBXAGGSA-N 1 0 278.352 1.188 20 70 CDIDRO CSCCCCC(=O)N[C@@H](C)CN1CCOCC1 ZINC000159910900 361925955 /nfs/dbraw/zinc/92/59/55/361925955.db2.gz KYBZLZAWRCWCNR-LBPRGKRZSA-N 1 0 274.430 1.357 20 70 CDIDRO C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000160241807 539115729 /nfs/dbraw/zinc/11/57/29/539115729.db2.gz WFSYEWHGGMLSTM-VIFPVBQESA-N 1 0 250.298 1.328 20 70 CDIDRO CN(CCC(=O)Nc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159975886 362384014 /nfs/dbraw/zinc/38/40/14/362384014.db2.gz YUZOFSPGJXRWDD-CQSZACIVSA-N 1 0 261.369 1.684 20 70 CDIDRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc2c1OCO2 ZINC000159983118 362385525 /nfs/dbraw/zinc/38/55/25/362385525.db2.gz LEJLKMXCXJYIAJ-PHIMTYICSA-N 1 0 278.352 1.606 20 70 CDIDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc(OC)c1C ZINC000160381038 362418595 /nfs/dbraw/zinc/41/85/95/362418595.db2.gz BPHFIAAFRMMIFA-LBPRGKRZSA-N 1 0 278.352 1.576 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000160485787 188475975 /nfs/dbraw/zinc/47/59/75/188475975.db2.gz IOHZPHJLDOVSRM-MRVPVSSYSA-N 1 0 289.198 1.945 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@@H]2CCC[NH2+]2)o1 ZINC000160637517 188484784 /nfs/dbraw/zinc/48/47/84/188484784.db2.gz PVIOVFYSOZXEGA-VIFPVBQESA-N 1 0 251.330 1.340 20 70 CDIDRO CC(C)(C)CC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000159748593 363272605 /nfs/dbraw/zinc/27/26/05/363272605.db2.gz YVDGRPKJNLVOTA-LBPRGKRZSA-N 1 0 256.390 1.683 20 70 CDIDRO C[C@@H]1CC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000159788376 363306740 /nfs/dbraw/zinc/30/67/40/363306740.db2.gz ZXYONCPNHVMYMF-UPJWGTAASA-N 1 0 283.416 1.583 20 70 CDIDRO CS[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160665951 358995300 /nfs/dbraw/zinc/99/53/00/358995300.db2.gz GJRZQEIMNUINGJ-MNOVXSKESA-N 1 0 256.415 1.729 20 70 CDIDRO CC(C)c1nc(N(C)C)nc(N(C)CCOCC2CC2)n1 ZINC000160453746 363874166 /nfs/dbraw/zinc/87/41/66/363874166.db2.gz CKSRKWKIZRHFKE-UHFFFAOYSA-N 1 0 293.415 1.924 20 70 CDIDRO O=C(CNc1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159391424 364198433 /nfs/dbraw/zinc/19/84/33/364198433.db2.gz SEZUDZUVPMXLHU-HNNXBMFYSA-N 1 0 259.353 1.311 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccnc2)CC1 ZINC000159587369 364238439 /nfs/dbraw/zinc/23/84/39/364238439.db2.gz CNVHYZKUHCHDCY-UHFFFAOYSA-N 1 0 276.384 1.361 20 70 CDIDRO COc1cccc(CNC(=O)[C@@H](C)[NH3+])c1OC1CCCC1 ZINC000159856634 364274511 /nfs/dbraw/zinc/27/45/11/364274511.db2.gz CSYIQBZXYWTBGP-LLVKDONJSA-N 1 0 292.379 1.980 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159702916 364253952 /nfs/dbraw/zinc/25/39/52/364253952.db2.gz MFACBDMRQPBSHQ-JTQLQIEISA-N 1 0 250.367 1.775 20 70 CDIDRO CC(=O)Nc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159764903 364262432 /nfs/dbraw/zinc/26/24/32/364262432.db2.gz HPZYFWAPCRAISO-UHFFFAOYSA-N 1 0 289.379 1.732 20 70 CDIDRO Cc1ccc(C[C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)s1 ZINC000159793896 364265295 /nfs/dbraw/zinc/26/52/95/364265295.db2.gz KVFCFQXOWPYGHC-DGCLKSJQSA-N 1 0 296.436 1.872 20 70 CDIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159805721 364267506 /nfs/dbraw/zinc/26/75/06/364267506.db2.gz SNYTWZDIKSMNGE-WHOFXGATSA-N 1 0 292.354 1.519 20 70 CDIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c2cnn(C(C)C)c2n1 ZINC000159929429 364282464 /nfs/dbraw/zinc/28/24/64/364282464.db2.gz ZAMAUVGYOYSTQH-UHFFFAOYSA-N 1 0 289.383 1.788 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160007180 364294612 /nfs/dbraw/zinc/29/46/12/364294612.db2.gz HCTVXSRUFDKFSU-RKDXNWHRSA-N 1 0 268.307 1.922 20 70 CDIDRO CN(C(=O)C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000160372275 364342129 /nfs/dbraw/zinc/34/21/29/364342129.db2.gz HCSBGPAVLZYYLI-UHFFFAOYSA-N 1 0 276.336 1.720 20 70 CDIDRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCCC[NH2+]1 ZINC000160412018 364349675 /nfs/dbraw/zinc/34/96/75/364349675.db2.gz SATHNXOWOGAFTP-LBPRGKRZSA-N 1 0 273.336 1.652 20 70 CDIDRO CCc1cc(=O)[nH]c(CN(C)C[C@@H]2CCCCO2)n1 ZINC000160978693 364434675 /nfs/dbraw/zinc/43/46/75/364434675.db2.gz MJUXZMUMHVIVHW-LBPRGKRZSA-N 1 0 265.357 1.746 20 70 CDIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(F)cc1F ZINC000161044825 364442055 /nfs/dbraw/zinc/44/20/55/364442055.db2.gz DIBHXZYVZCPZAH-CPCISQLKSA-N 1 0 285.294 1.589 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cnn1-c1ccccc1 ZINC000160312825 377056786 /nfs/dbraw/zinc/05/67/86/377056786.db2.gz LQZLBAUVFDKKJO-CQSZACIVSA-N 1 0 284.363 1.744 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000160489815 532957114 /nfs/dbraw/zinc/95/71/14/532957114.db2.gz BCEOCPFPTNRHTJ-LLVKDONJSA-N 1 0 268.307 1.718 20 70 CDIDRO COc1cccc(F)c1[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000161051205 533567331 /nfs/dbraw/zinc/56/73/31/533567331.db2.gz YWLFIDQSFDTBCB-SECBINFHSA-N 1 0 268.332 1.996 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000160554454 391542786 /nfs/dbraw/zinc/54/27/86/391542786.db2.gz PYTFGXDEPQTFMV-STQMWFEESA-N 1 0 284.400 1.709 20 70 CDIDRO CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000217811309 130763342 /nfs/dbraw/zinc/76/33/42/130763342.db2.gz ODGPSMMOSZIIGO-NJZAAPMLSA-N 1 0 292.379 1.374 20 70 CDIDRO COCC[NH2+]CC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000161424799 139913183 /nfs/dbraw/zinc/91/31/83/139913183.db2.gz KMGOHHSVZAHXLW-UKRRQHHQSA-N 1 0 276.380 1.627 20 70 CDIDRO CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])C[C@@H](C)O1 ZINC000161193861 165030372 /nfs/dbraw/zinc/03/03/72/165030372.db2.gz FNVRPOZPGGPLSZ-VXGBXAGGSA-N 1 0 256.390 1.777 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159992622 274234020 /nfs/dbraw/zinc/23/40/20/274234020.db2.gz DSWMXIZJICHTCM-SSDOTTSWSA-N 1 0 269.142 1.685 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000161088426 277280907 /nfs/dbraw/zinc/28/09/07/277280907.db2.gz JLEQMMLVKXVJJG-YDHLFZDLSA-N 1 0 276.380 1.831 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159835697 278223912 /nfs/dbraw/zinc/22/39/12/278223912.db2.gz XPRIDRFWKZHZEQ-OUJBWJOFSA-N 1 0 282.771 1.976 20 70 CDIDRO COCC(C)(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000160360948 292785076 /nfs/dbraw/zinc/78/50/76/292785076.db2.gz AQCUJUTYVGIVAS-UHFFFAOYSA-N 1 0 258.406 1.894 20 70 CDIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000161056414 294474311 /nfs/dbraw/zinc/47/43/11/294474311.db2.gz VFGPOWJDADQTAY-SBMIAAHKSA-N 1 0 270.760 1.879 20 70 CDIDRO CO[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000159490249 482672001 /nfs/dbraw/zinc/67/20/01/482672001.db2.gz KEYIRYUSFHLYMT-OLZOCXBDSA-N 1 0 282.771 1.896 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC000161127162 482862776 /nfs/dbraw/zinc/86/27/76/482862776.db2.gz OUCXGVDLIUTJTD-UWVGGRQHSA-N 1 0 275.308 1.934 20 70 CDIDRO CN(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000161221997 482867542 /nfs/dbraw/zinc/86/75/42/482867542.db2.gz ZZQXWMMVPNTABZ-NEPJUHHUSA-N 1 0 262.357 1.147 20 70 CDIDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCNC(=O)C1CC1 ZINC000160693653 518182501 /nfs/dbraw/zinc/18/25/01/518182501.db2.gz CRAHQNABBNNVKF-LLVKDONJSA-N 1 0 262.353 1.439 20 70 CDIDRO CCN1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494577 521603567 /nfs/dbraw/zinc/60/35/67/521603567.db2.gz PMDDMOJYEIZCQL-GPANFISMSA-N 1 0 281.444 1.898 20 70 CDIDRO CO[C@H]1CCN(Cc2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000160986421 523995632 /nfs/dbraw/zinc/99/56/32/523995632.db2.gz VMURWFZXBNMAKQ-QWRGUYRKSA-N 1 0 270.323 1.903 20 70 CDIDRO CO[C@H]1CCN(CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195816 523996342 /nfs/dbraw/zinc/99/63/42/523996342.db2.gz WJBWEPGRKHWUSC-ZFWWWQNUSA-N 1 0 264.369 1.504 20 70 CDIDRO O=C([C@@H]1CCCC[N@@H+]1CCOCC1CC1)N1CCOCC1 ZINC000160390150 526466381 /nfs/dbraw/zinc/46/63/81/526466381.db2.gz UTNUNZSQPUKZIH-HNNXBMFYSA-N 1 0 296.411 1.126 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000161032633 526701727 /nfs/dbraw/zinc/70/17/27/526701727.db2.gz IZVIMXSRQMJALI-NZFPVTAUSA-N 1 0 268.401 1.574 20 70 CDIDRO Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000161270860 527395523 /nfs/dbraw/zinc/39/55/23/527395523.db2.gz JVZMJKMDTPGZTI-CQSZACIVSA-N 1 0 251.374 1.676 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)CO ZINC000160993664 527965939 /nfs/dbraw/zinc/96/59/39/527965939.db2.gz ZVINYDQAADHGAF-ZIAGYGMSSA-N 1 0 285.432 1.425 20 70 CDIDRO CC1CC[NH+](CCCNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000159943877 528238460 /nfs/dbraw/zinc/23/84/60/528238460.db2.gz NYLCHYFAUNARCJ-INIZCTEOSA-N 1 0 297.443 1.665 20 70 CDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797521 529214070 /nfs/dbraw/zinc/21/40/70/529214070.db2.gz FWJJCVWQDZKSTI-IINYFYTJSA-N 1 0 289.379 1.627 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000161020793 535455684 /nfs/dbraw/zinc/45/56/84/535455684.db2.gz NVAWFXXGLYMWSE-OAHLLOKOSA-N 1 0 295.427 1.093 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000160246165 342072936 /nfs/dbraw/zinc/07/29/36/342072936.db2.gz SSASFHCQZIBOMS-CYBMUJFWSA-N 1 0 285.359 1.718 20 70 CDIDRO O=C(Nc1ccc(OC(F)(F)F)cc1)NC1C[NH2+]C1 ZINC000160683607 342073041 /nfs/dbraw/zinc/07/30/41/342073041.db2.gz VVZCWTZULMNDOT-UHFFFAOYSA-N 1 0 275.230 1.679 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000161193331 361911197 /nfs/dbraw/zinc/91/11/97/361911197.db2.gz KAZPNKOVHIDPTK-QMMMGPOBSA-N 1 0 276.262 1.384 20 70 CDIDRO COC[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000160175635 539115603 /nfs/dbraw/zinc/11/56/03/539115603.db2.gz QWMLDMHKMBELSD-AAEUAGOBSA-N 1 0 254.374 1.545 20 70 CDIDRO CCC(CC)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160825977 539116863 /nfs/dbraw/zinc/11/68/63/539116863.db2.gz GDHIBIWVJMOEIV-GWCFXTLKSA-N 1 0 256.390 1.382 20 70 CDIDRO CC[C@@H](C)c1cc(C(=O)N2CCC[C@H]2C[NH3+])on1 ZINC000160182179 529428700 /nfs/dbraw/zinc/42/87/00/529428700.db2.gz SAEIKDMEBAESJQ-ZJUUUORDSA-N 1 0 251.330 1.751 20 70 CDIDRO CC(=O)N[C@H](C(=O)NCC[NH2+]C1CCCCCC1)C(C)C ZINC000159673399 342366855 /nfs/dbraw/zinc/36/68/55/342366855.db2.gz SGIGGVYBHDKGHO-HNNXBMFYSA-N 1 0 297.443 1.576 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1nncn1Cc1ccccc1 ZINC000159634570 342367660 /nfs/dbraw/zinc/36/76/60/342367660.db2.gz PNKSXDRHCWURDF-ZDUSSCGKSA-N 1 0 285.351 1.407 20 70 CDIDRO CNC(=O)CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161360492 529846506 /nfs/dbraw/zinc/84/65/06/529846506.db2.gz GHRODGPSQILJKO-UHFFFAOYSA-N 1 0 281.444 1.711 20 70 CDIDRO CN(Cc1cccs1)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160053453 362390927 /nfs/dbraw/zinc/39/09/27/362390927.db2.gz GJPXDMLPKVHVMF-CYBMUJFWSA-N 1 0 281.425 1.376 20 70 CDIDRO C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)OC ZINC000160388493 362420347 /nfs/dbraw/zinc/42/03/47/362420347.db2.gz QIHZIBJPSPOMST-UHFFFAOYSA-N 1 0 264.369 1.603 20 70 CDIDRO CCN(CCCO)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000160690111 362468621 /nfs/dbraw/zinc/46/86/21/362468621.db2.gz VASGTNAZLDXEOM-UHFFFAOYSA-N 1 0 295.408 1.806 20 70 CDIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CCO)C1 ZINC000159610997 345246335 /nfs/dbraw/zinc/24/63/35/345246335.db2.gz CMYWPGUOMOONQN-UONOGXRCSA-N 1 0 299.459 1.957 20 70 CDIDRO CCOC(=O)c1ccc(CNC(=O)CC[NH2+]C(C)C)o1 ZINC000159575130 345219367 /nfs/dbraw/zinc/21/93/67/345219367.db2.gz FPZXEDYOIJFKTM-UHFFFAOYSA-N 1 0 282.340 1.461 20 70 CDIDRO CC[C@@H](COC)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161148110 362701307 /nfs/dbraw/zinc/70/13/07/362701307.db2.gz XGIQZYVNFQEMIA-LBPRGKRZSA-N 1 0 251.326 1.972 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCn2cccn2)CC1 ZINC000161021736 188504013 /nfs/dbraw/zinc/50/40/13/188504013.db2.gz ZWTQREQMDXMTHD-UHFFFAOYSA-N 1 0 264.373 1.310 20 70 CDIDRO CN(CC[NH2+]Cc1ccnn1C)C(=O)OC(C)(C)C ZINC000218315428 361161460 /nfs/dbraw/zinc/16/14/60/361161460.db2.gz ODIMBZIXKNHHFW-UHFFFAOYSA-N 1 0 268.361 1.377 20 70 CDIDRO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cc1F ZINC000159433167 361697466 /nfs/dbraw/zinc/69/74/66/361697466.db2.gz UCUPNTMLJFIPJU-MNOVXSKESA-N 1 0 268.332 1.774 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)C12CCCC2 ZINC000159554689 361728934 /nfs/dbraw/zinc/72/89/34/361728934.db2.gz PZIXKUFMWSNGFB-UONOGXRCSA-N 1 0 280.412 1.840 20 70 CDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCCOC ZINC000160534767 363978873 /nfs/dbraw/zinc/97/88/73/363978873.db2.gz IYBRGMFSQAHILI-STQMWFEESA-N 1 0 258.406 1.896 20 70 CDIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC[C@@H]1CCCO1 ZINC000160551106 363990774 /nfs/dbraw/zinc/99/07/74/363990774.db2.gz XOSVGMWIVAHOTH-IHRRRGAJSA-N 1 0 266.385 1.546 20 70 CDIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CCOC1 ZINC000160599923 364078904 /nfs/dbraw/zinc/07/89/04/364078904.db2.gz JXPJDXRCKCJNPC-DTWKUNHWSA-N 1 0 268.279 1.070 20 70 CDIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000159439225 364206303 /nfs/dbraw/zinc/20/63/03/364206303.db2.gz ACYFBUXSKXSQJV-LBPRGKRZSA-N 1 0 286.397 1.573 20 70 CDIDRO CCn1cc([C@H](C)[NH2+]CCCN2CCCC2=O)cn1 ZINC000159469605 364213763 /nfs/dbraw/zinc/21/37/63/364213763.db2.gz YIIBDXUBGBYDOM-LBPRGKRZSA-N 1 0 264.373 1.566 20 70 CDIDRO Cn1nccc1/C=C/C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159855866 364274939 /nfs/dbraw/zinc/27/49/39/364274939.db2.gz YZFWTHUCNIVVNZ-SNAWJCMRSA-N 1 0 288.395 1.424 20 70 CDIDRO CN(CC(=O)N(C)c1nccs1)C[C@@H]1CCC[C@@H]1O ZINC000159808636 364268623 /nfs/dbraw/zinc/26/86/23/364268623.db2.gz XSXWMFLXRSLBES-QWRGUYRKSA-N 1 0 283.397 1.199 20 70 CDIDRO C[C@@H](CNC(=O)CCCn1cccc1)N1CC[NH+](C)CC1 ZINC000159523484 364227219 /nfs/dbraw/zinc/22/72/19/364227219.db2.gz PMOQCWHFHWQCKX-HNNXBMFYSA-N 1 0 292.427 1.020 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccccc2Cl)C1 ZINC000160260840 364326127 /nfs/dbraw/zinc/32/61/27/364326127.db2.gz OUOSYMKHWRXPAG-SECBINFHSA-N 1 0 270.785 1.992 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCCc1ccc(C)c(OC)c1 ZINC000160326809 364335909 /nfs/dbraw/zinc/33/59/09/364335909.db2.gz LTXBIFYNJCRHRA-LBPRGKRZSA-N 1 0 250.342 1.400 20 70 CDIDRO COC(=O)[C@H](c1cccnc1)N(C)C[C@H]1CCCOC1 ZINC000160094303 364305849 /nfs/dbraw/zinc/30/58/49/364305849.db2.gz CVVFVGGGFDRALV-OCCSQVGLSA-N 1 0 278.352 1.654 20 70 CDIDRO CC(=O)c1csc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160147030 364311924 /nfs/dbraw/zinc/31/19/24/364311924.db2.gz QDXLGPIACOLSBP-JTQLQIEISA-N 1 0 252.339 1.514 20 70 CDIDRO [NH3+]CCC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160170933 364313778 /nfs/dbraw/zinc/31/37/78/364313778.db2.gz JRSNCQKWALVUSG-UHFFFAOYSA-N 1 0 294.742 1.398 20 70 CDIDRO Cc1ncc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(C)n1 ZINC000160552504 364371900 /nfs/dbraw/zinc/37/19/00/364371900.db2.gz YWRQDSZIDJWSJW-ZETCQYMHSA-N 1 0 290.289 1.423 20 70 CDIDRO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)C[NH+](C)C ZINC000160647552 364389725 /nfs/dbraw/zinc/38/97/25/364389725.db2.gz PZVHPIGYGUMEIB-WCQYABFASA-N 1 0 250.342 1.176 20 70 CDIDRO CC[N@H+](C)[C@@H](C(=O)NCC[C@H](O)COC)c1ccccc1 ZINC000161097348 364447611 /nfs/dbraw/zinc/44/76/11/364447611.db2.gz VNCLIZCLCWPZEP-LSDHHAIUSA-N 1 0 294.395 1.193 20 70 CDIDRO CO[C@H](CNC(=O)C1([NH3+])CC1)c1cccc(Cl)c1 ZINC000161407459 364670255 /nfs/dbraw/zinc/67/02/55/364670255.db2.gz YUIYLUSNNHGLLH-LLVKDONJSA-N 1 0 268.744 1.635 20 70 CDIDRO COc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1N ZINC000161013107 364887464 /nfs/dbraw/zinc/88/74/64/364887464.db2.gz LDDYDKNWCVERQO-UHFFFAOYSA-N 1 0 251.330 1.556 20 70 CDIDRO COC1(C(=O)N2CCS[C@@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC000161432559 373719759 /nfs/dbraw/zinc/71/97/59/373719759.db2.gz LLVOKSYABQFEDC-CHWSQXEVSA-N 1 0 298.452 1.642 20 70 CDIDRO CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H](C[NH3+])C1CC1 ZINC000159836235 139906270 /nfs/dbraw/zinc/90/62/70/139906270.db2.gz DJTKWXNLHLEOEZ-JTQLQIEISA-N 1 0 287.285 1.910 20 70 CDIDRO CN(CC(=O)NCCc1ccc(F)cc1)[C@H](C[NH3+])C1CC1 ZINC000160090654 139909753 /nfs/dbraw/zinc/90/97/53/139909753.db2.gz PEEVUJAZBXIODR-OAHLLOKOSA-N 1 0 293.386 1.154 20 70 CDIDRO CCc1nnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1CC ZINC000218136286 140165165 /nfs/dbraw/zinc/16/51/65/140165165.db2.gz CRUNVZRNZBLYMQ-QJPTWQEYSA-N 1 0 275.400 1.560 20 70 CDIDRO CN(CC(=O)N(C)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159999658 147705783 /nfs/dbraw/zinc/70/57/83/147705783.db2.gz KQSBEKGAXSLZDC-CQSZACIVSA-N 1 0 261.369 1.319 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000160160496 147709711 /nfs/dbraw/zinc/70/97/11/147709711.db2.gz XUFGVHDYWLQBMK-AWEZNQCLSA-N 1 0 279.359 1.742 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)c1cccs1 ZINC000161335677 147730169 /nfs/dbraw/zinc/73/01/69/147730169.db2.gz OVDQAUZNPNPJTB-LLVKDONJSA-N 1 0 295.408 1.078 20 70 CDIDRO C[C@H]([NH3+])CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC000216949754 424588247 /nfs/dbraw/zinc/58/82/47/424588247.db2.gz BYONQDBOPJGKIW-FTPDJBBVSA-N 1 0 250.386 1.912 20 70 CDIDRO C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744846 279392027 /nfs/dbraw/zinc/39/20/27/279392027.db2.gz HCZHZWYXDHZXTF-JOYOIKCWSA-N 1 0 295.770 1.251 20 70 CDIDRO CCOCCC1(CNC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000159573726 292762380 /nfs/dbraw/zinc/76/23/80/292762380.db2.gz YUWAHGZZFSHNCX-UHFFFAOYSA-N 1 0 297.443 1.977 20 70 CDIDRO CCC(=O)N1CC[C@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000161213523 292802498 /nfs/dbraw/zinc/80/24/98/292802498.db2.gz UYPKLOVLXGNHMF-AWEZNQCLSA-N 1 0 295.427 1.093 20 70 CDIDRO Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000216624644 295355321 /nfs/dbraw/zinc/35/53/21/295355321.db2.gz HRWOWRPGYVSRRV-KBPBESRZSA-N 1 0 295.408 1.174 20 70 CDIDRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160144140 482786331 /nfs/dbraw/zinc/78/63/31/482786331.db2.gz TYEIIMFCZRDVCN-RTXFEEFZSA-N 1 0 252.358 1.012 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC000160778007 482826842 /nfs/dbraw/zinc/82/68/42/482826842.db2.gz HBJXJIOEHPKBBC-RYUDHWBXSA-N 1 0 286.335 1.736 20 70 CDIDRO C[NH2+]CCNCc1ccc(F)cc1Br ZINC000161274090 522011584 /nfs/dbraw/zinc/01/15/84/522011584.db2.gz JFTHRZSGSPFFQV-UHFFFAOYSA-N 1 0 261.138 1.897 20 70 CDIDRO C[NH2+]CCc1ccccc1C(=O)NCCOC(C)C ZINC000160370339 522021423 /nfs/dbraw/zinc/02/14/23/522021423.db2.gz RBPVSTPKZLEUMQ-UHFFFAOYSA-N 1 0 264.369 1.603 20 70 CDIDRO COC(C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)OC ZINC000160995104 522534781 /nfs/dbraw/zinc/53/47/81/522534781.db2.gz BLPCVTBPGFHNPS-LLVKDONJSA-N 1 0 280.372 1.023 20 70 CDIDRO O=C1CCCN1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160930920 526973273 /nfs/dbraw/zinc/97/32/73/526973273.db2.gz MJMYAPZKWUOWBC-UHFFFAOYSA-N 1 0 293.455 1.949 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CSC)CC1 ZINC000159883808 529029036 /nfs/dbraw/zinc/02/90/36/529029036.db2.gz MYNXJWWKXSUTEK-NSHDSACASA-N 1 0 259.419 1.475 20 70 CDIDRO C[NH+](C)CCn1ccc(NC(=O)NC2CC=CC2)n1 ZINC000161377284 539117629 /nfs/dbraw/zinc/11/76/29/539117629.db2.gz VOOZKVZDFLXEMS-UHFFFAOYSA-N 1 0 263.345 1.285 20 70 CDIDRO CC(=O)N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000160052515 362011847 /nfs/dbraw/zinc/01/18/47/362011847.db2.gz YCRAZCIONJXZOE-ZNMIVQPWSA-N 1 0 293.411 1.034 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](COC)C(C)C)CC1 ZINC000159906905 342370917 /nfs/dbraw/zinc/37/09/17/342370917.db2.gz IUOQHPDRUWYMNG-CYBMUJFWSA-N 1 0 271.405 1.395 20 70 CDIDRO CC[C@H]1CCC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000159365767 362314970 /nfs/dbraw/zinc/31/49/70/362314970.db2.gz HZLSUWWCQOWVLR-STQMWFEESA-N 1 0 268.401 1.840 20 70 CDIDRO Cc1nc(C)c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000159562964 362344909 /nfs/dbraw/zinc/34/49/09/362344909.db2.gz KAXCCTZDMVFOGI-CYBMUJFWSA-N 1 0 277.368 1.896 20 70 CDIDRO O=C(NCCN1CC[NH2+]CC1)C1C2CC3CC(C2)CC1C3 ZINC000160109218 362395507 /nfs/dbraw/zinc/39/55/07/362395507.db2.gz ROQWIPOSPCNSPO-UHFFFAOYSA-N 1 0 291.439 1.080 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC000160643768 362459590 /nfs/dbraw/zinc/45/95/90/362459590.db2.gz IXMRBPHYPAPRHZ-STQMWFEESA-N 1 0 262.353 1.583 20 70 CDIDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160995854 530062152 /nfs/dbraw/zinc/06/21/52/530062152.db2.gz GPDPXCGADVTHMN-HNNXBMFYSA-N 1 0 271.364 1.921 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCOC1 ZINC000160957018 362570254 /nfs/dbraw/zinc/57/02/54/362570254.db2.gz DFZPNYZLNXFFJA-HUUCEWRRSA-N 1 0 297.443 1.927 20 70 CDIDRO COC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160666327 346190622 /nfs/dbraw/zinc/19/06/22/346190622.db2.gz HKTXQJANJGODLL-GJZGRUSLSA-N 1 0 295.427 1.539 20 70 CDIDRO CC(C)NC(=O)Nc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160312195 188465885 /nfs/dbraw/zinc/46/58/85/188465885.db2.gz UQZDHRJJPCXZSS-LLVKDONJSA-N 1 0 290.367 1.390 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000160517094 188477785 /nfs/dbraw/zinc/47/77/85/188477785.db2.gz QHUYMEZBFXECKE-GFCCVEGCSA-N 1 0 270.336 1.511 20 70 CDIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@H](C)[NH3+])cc1 ZINC000161099902 363263872 /nfs/dbraw/zinc/26/38/72/363263872.db2.gz IDBGWMBVYGWQFJ-NWANDNLSSA-N 1 0 276.380 1.926 20 70 CDIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161511040 188531800 /nfs/dbraw/zinc/53/18/00/188531800.db2.gz VUATXDIEBLPFPF-QEJZJMRPSA-N 1 0 276.380 1.757 20 70 CDIDRO CN1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@@H]21 ZINC000159871520 363388283 /nfs/dbraw/zinc/38/82/83/363388283.db2.gz TVBLAULFHIAMGO-STQMWFEESA-N 1 0 281.400 1.291 20 70 CDIDRO C[C@]1(CNC(=O)c2ccc(C[NH3+])o2)CCCC[C@@H]1O ZINC000160841458 482831065 /nfs/dbraw/zinc/83/10/65/482831065.db2.gz VAHUAZSNBHOYLE-GXTWGEPZSA-N 1 0 266.341 1.409 20 70 CDIDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160112601 363674882 /nfs/dbraw/zinc/67/48/82/363674882.db2.gz XIBAJIMDHIBBAC-INIZCTEOSA-N 1 0 297.443 1.663 20 70 CDIDRO COCc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161078431 482858983 /nfs/dbraw/zinc/85/89/83/482858983.db2.gz ADRXSINRZSQSTK-OLZOCXBDSA-N 1 0 262.353 1.833 20 70 CDIDRO O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[NH2+]CC1 ZINC000160860877 361434285 /nfs/dbraw/zinc/43/42/85/361434285.db2.gz HMUTXLJERBDOIS-NEPJUHHUSA-N 1 0 280.318 1.890 20 70 CDIDRO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000160869687 361458129 /nfs/dbraw/zinc/45/81/29/361458129.db2.gz OTDFLCKGXAMYBK-HNNXBMFYSA-N 1 0 290.407 1.631 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000159390121 364197383 /nfs/dbraw/zinc/19/73/83/364197383.db2.gz SXPWAOWFOOMHQT-QWRGUYRKSA-N 1 0 294.351 1.097 20 70 CDIDRO COC(=O)CCCOc1ccc(NC(=O)[C@H](C)[NH3+])cc1 ZINC000159829324 364272220 /nfs/dbraw/zinc/27/22/20/364272220.db2.gz GKCOIKOBPZKCPT-JTQLQIEISA-N 1 0 280.324 1.304 20 70 CDIDRO Cc1nc(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000159913695 364280428 /nfs/dbraw/zinc/28/04/28/364280428.db2.gz FNWYBJLXOYWZKT-GFCCVEGCSA-N 1 0 281.425 1.855 20 70 CDIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@@H](C)[NH3+])cc1OC ZINC000159962969 364287385 /nfs/dbraw/zinc/28/73/85/364287385.db2.gz CEMLASOCGWZGNT-HTQZYQBOSA-N 1 0 270.304 1.367 20 70 CDIDRO O=C(CCNC(=O)[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000160022187 364295744 /nfs/dbraw/zinc/29/57/44/364295744.db2.gz SEWYPJIYVPUVAH-ZDUSSCGKSA-N 1 0 275.352 1.274 20 70 CDIDRO C[C@@H](CO)NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160101145 364305557 /nfs/dbraw/zinc/30/55/57/364305557.db2.gz OOUWMJCXFGCSPU-YDHLFZDLSA-N 1 0 291.395 1.329 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461228 364355442 /nfs/dbraw/zinc/35/54/42/364355442.db2.gz POQYKISCLBYJRZ-MFKMUULPSA-N 1 0 274.372 1.469 20 70 CDIDRO COc1cc(C(=O)NCCC[NH+](C)C)cc(OC)c1O ZINC000160751230 364406141 /nfs/dbraw/zinc/40/61/41/364406141.db2.gz MRGIUMZDJRPBGK-UHFFFAOYSA-N 1 0 282.340 1.091 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3c1cnn3C)CC2 ZINC000160562910 364373436 /nfs/dbraw/zinc/37/34/36/364373436.db2.gz FAXXFQHCOBIBQJ-DGCLKSJQSA-N 1 0 286.383 1.302 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)[NH+](C)C ZINC000160653299 364390951 /nfs/dbraw/zinc/39/09/51/364390951.db2.gz XGZUWDAACICFLG-SNVBAGLBSA-N 1 0 277.324 1.410 20 70 CDIDRO COCC(C)(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161372789 364484080 /nfs/dbraw/zinc/48/40/80/364484080.db2.gz CIYAVUPOXMWRAP-BETUJISGSA-N 1 0 286.416 1.275 20 70 CDIDRO CCNc1nc(C(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000161403819 364487755 /nfs/dbraw/zinc/48/77/55/364487755.db2.gz SYQLDSUBYJDRMM-UHFFFAOYSA-N 1 0 294.424 1.932 20 70 CDIDRO COCCN(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218183155 367261497 /nfs/dbraw/zinc/26/14/97/367261497.db2.gz FYXAZVZPSGCGLF-UHFFFAOYSA-N 1 0 261.369 1.836 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@H](C)CO1 ZINC000161468230 373756299 /nfs/dbraw/zinc/75/62/99/373756299.db2.gz PLRGZSFEYXQAFO-YRGRVCCFSA-N 1 0 262.353 1.631 20 70 CDIDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)N(C)C1CC1 ZINC000218665201 373788837 /nfs/dbraw/zinc/78/88/37/373788837.db2.gz OFDFYTTUINRNJX-UKRRQHHQSA-N 1 0 278.396 1.499 20 70 CDIDRO Cc1cc(C)nc(SCC(=O)NCC(C)(C)[NH3+])n1 ZINC000160085795 376999071 /nfs/dbraw/zinc/99/90/71/376999071.db2.gz LSKFZVNGABFXNB-UHFFFAOYSA-N 1 0 268.386 1.039 20 70 CDIDRO CS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000159376269 390939622 /nfs/dbraw/zinc/93/96/22/390939622.db2.gz VJJNNRHMSBHACN-CQSZACIVSA-N 1 0 294.420 1.765 20 70 CDIDRO CSC[C@](C)(O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000217644163 130761635 /nfs/dbraw/zinc/76/16/35/130761635.db2.gz WRBQDJBPOZBKOH-OAHLLOKOSA-N 1 0 296.436 1.592 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161497369 139913526 /nfs/dbraw/zinc/91/35/26/139913526.db2.gz VMQYDFJRCXYAEH-JTQLQIEISA-N 1 0 294.351 1.793 20 70 CDIDRO [NH3+][C@@H]1C[C@@H](NCCNC(=O)C2CC2)c2ccccc21 ZINC000160703817 147723428 /nfs/dbraw/zinc/72/34/28/147723428.db2.gz AIIKSOLLALCJJI-ZIAGYGMSSA-N 1 0 259.353 1.247 20 70 CDIDRO CC(=O)NCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159513151 277030438 /nfs/dbraw/zinc/03/04/38/277030438.db2.gz ANVJWBMOGPXSKG-KRWDZBQOSA-N 1 0 288.391 1.687 20 70 CDIDRO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)C1CC1 ZINC000160436247 280184295 /nfs/dbraw/zinc/18/42/95/280184295.db2.gz ZRZVGDKANLUQDF-CQSZACIVSA-N 1 0 267.417 1.317 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N(C)CCC1CCOCC1 ZINC000161402781 292805297 /nfs/dbraw/zinc/80/52/97/292805297.db2.gz OVERPBVSTNALKX-UHFFFAOYSA-N 1 0 256.390 1.650 20 70 CDIDRO NC(=O)[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000160492899 295105061 /nfs/dbraw/zinc/10/50/61/295105061.db2.gz WCAUNHUCXUABAV-ZDUSSCGKSA-N 1 0 253.390 1.202 20 70 CDIDRO COc1ccc(OCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160955767 482845701 /nfs/dbraw/zinc/84/57/01/482845701.db2.gz AZQPMTVUCMBIHB-STQMWFEESA-N 1 0 292.379 1.850 20 70 CDIDRO CO[C@@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161338224 482875077 /nfs/dbraw/zinc/87/50/77/482875077.db2.gz PKOWMKRHTDCSAY-MELADBBJSA-N 1 0 262.353 1.760 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCO1 ZINC000160843209 525442065 /nfs/dbraw/zinc/44/20/65/525442065.db2.gz IUOMYHDRTLHHKL-CABCVRRESA-N 1 0 276.380 1.878 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000159668492 526739019 /nfs/dbraw/zinc/73/90/19/526739019.db2.gz SKFZCXNBJMJMQQ-NEPJUHHUSA-N 1 0 270.417 1.929 20 70 CDIDRO OCC1(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000160591113 539116024 /nfs/dbraw/zinc/11/60/24/539116024.db2.gz ZHNQRPPIXBRYOQ-UHFFFAOYSA-N 1 0 271.158 1.706 20 70 CDIDRO CC(C)(CO)C[NH2+]Cc1cncc(Br)c1 ZINC000160590962 539116120 /nfs/dbraw/zinc/11/61/20/539116120.db2.gz ZLIKTKWUMGSPAC-UHFFFAOYSA-N 1 0 273.174 1.952 20 70 CDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000161397310 539117633 /nfs/dbraw/zinc/11/76/33/539117633.db2.gz ZZPHDZNCWKXQFJ-UHFFFAOYSA-N 1 0 296.374 1.842 20 70 CDIDRO COc1ccc(F)cc1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000217173668 342439443 /nfs/dbraw/zinc/43/94/43/342439443.db2.gz MARSHQGYVQGUOX-SNVBAGLBSA-N 1 0 266.316 1.197 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000159993928 362384603 /nfs/dbraw/zinc/38/46/03/362384603.db2.gz JEKSGBJQUQPZCL-LBPRGKRZSA-N 1 0 278.352 1.608 20 70 CDIDRO O[C@@H](C[NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000160576487 362449175 /nfs/dbraw/zinc/44/91/75/362449175.db2.gz KUJVCVMIKABFRX-NSHDSACASA-N 1 0 271.158 1.705 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(NC(N)=O)c1 ZINC000161212624 290728351 /nfs/dbraw/zinc/72/83/51/290728351.db2.gz JQGUHZKSPWSMBC-GFCCVEGCSA-N 1 0 276.340 1.001 20 70 CDIDRO O=C(c1ccncc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159908059 362561940 /nfs/dbraw/zinc/56/19/40/362561940.db2.gz IGIBPAOOJKTGOW-AOOOYVTPSA-N 1 0 265.744 1.702 20 70 CDIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[NH2+]C)ccc2NC1=O ZINC000161372101 362801216 /nfs/dbraw/zinc/80/12/16/362801216.db2.gz LHHOCDBMIKJSCL-CABZTGNLSA-N 1 0 291.351 1.193 20 70 CDIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160284175 188464157 /nfs/dbraw/zinc/46/41/57/188464157.db2.gz NUPHMJYIXDYKGZ-QKCSRTOESA-N 1 0 287.363 1.454 20 70 CDIDRO O=C(Nc1cnn(CC(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000160989375 188501786 /nfs/dbraw/zinc/50/17/86/188501786.db2.gz KBCQNJXXRWIPHB-VIFPVBQESA-N 1 0 258.272 1.229 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161037649 188504741 /nfs/dbraw/zinc/50/47/41/188504741.db2.gz JUVNFOCDDFBVST-BPNCWPANSA-N 1 0 278.352 1.655 20 70 CDIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000160566076 237182767 /nfs/dbraw/zinc/18/27/67/237182767.db2.gz WFVWEZARQWQMOD-GXTWGEPZSA-N 1 0 296.436 1.815 20 70 CDIDRO C[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160970498 360216642 /nfs/dbraw/zinc/21/66/42/360216642.db2.gz JGXWHRFIYUTEJO-GWCFXTLKSA-N 1 0 264.369 1.481 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160967279 360216682 /nfs/dbraw/zinc/21/66/82/360216682.db2.gz DAMVGVJZAPECPS-LHLIQPBNSA-N 1 0 277.151 1.490 20 70 CDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161065361 360756800 /nfs/dbraw/zinc/75/68/00/360756800.db2.gz PBSGEYXRGWSXID-ZNMIVQPWSA-N 1 0 280.412 1.840 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCC2 ZINC000160993871 361026560 /nfs/dbraw/zinc/02/65/60/361026560.db2.gz VQAYRFDHCQUDCS-SDDRHHMPSA-N 1 0 268.401 1.824 20 70 CDIDRO CCOc1ccccc1OCCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160316055 361419442 /nfs/dbraw/zinc/41/94/42/361419442.db2.gz SKDNLRGRCHWSQA-CYBMUJFWSA-N 1 0 292.379 1.804 20 70 CDIDRO COc1cccc(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161186452 482867780 /nfs/dbraw/zinc/86/77/80/482867780.db2.gz UGNOPDAEKDMIEZ-STQMWFEESA-N 1 0 262.353 1.624 20 70 CDIDRO C[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000160266132 363802867 /nfs/dbraw/zinc/80/28/67/363802867.db2.gz HYZNSAOKZJVECX-ZIAGYGMSSA-N 1 0 295.427 1.045 20 70 CDIDRO CNC(=O)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000161401400 364147429 /nfs/dbraw/zinc/14/74/29/364147429.db2.gz KIPNBKZHASLFTM-UHFFFAOYSA-N 1 0 281.400 1.023 20 70 CDIDRO O=C(/C=C/c1ccccc1OC(F)F)N1CC[NH2+]CC1 ZINC000159382011 364195608 /nfs/dbraw/zinc/19/56/08/364195608.db2.gz FFCVQQLDHJRPOW-AATRIKPKSA-N 1 0 282.290 1.733 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159397111 364199324 /nfs/dbraw/zinc/19/93/24/364199324.db2.gz YXFUXDKRRBBXSO-WDEREUQCSA-N 1 0 295.770 1.299 20 70 CDIDRO CCCCCC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159439002 364205798 /nfs/dbraw/zinc/20/57/98/364205798.db2.gz RRHDOTBMKGGYII-UHFFFAOYSA-N 1 0 291.395 1.713 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159650650 364247219 /nfs/dbraw/zinc/24/72/19/364247219.db2.gz FQCOLUXLUYDTAZ-MRVPVSSYSA-N 1 0 294.742 1.396 20 70 CDIDRO COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1C[NH3+])CO2 ZINC000160285127 364329263 /nfs/dbraw/zinc/32/92/63/364329263.db2.gz MHXUBRFSQKZFLW-STQMWFEESA-N 1 0 290.363 1.196 20 70 CDIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cocn1 ZINC000160000422 364292448 /nfs/dbraw/zinc/29/24/48/364292448.db2.gz JSTVHWCIWOIUGT-UHFFFAOYSA-N 1 0 281.356 1.105 20 70 CDIDRO Cc1ccc(C(=O)N[C@@H](C(=O)NCCC[NH3+])C(C)C)cc1 ZINC000160050316 364298901 /nfs/dbraw/zinc/29/89/01/364298901.db2.gz VCTDXRNPDOFNFY-CQSZACIVSA-N 1 0 291.395 1.214 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cnn(C)c1 ZINC000160525826 364367394 /nfs/dbraw/zinc/36/73/94/364367394.db2.gz ZSBNFODGJLCXOD-OAHLLOKOSA-N 1 0 292.427 1.589 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000160773531 364408219 /nfs/dbraw/zinc/40/82/19/364408219.db2.gz DULYKGZZTYVYQX-AWEZNQCLSA-N 1 0 287.363 1.469 20 70 CDIDRO O=C(c1cc(F)cc2nccnc21)N1CCC[NH2+]CC1 ZINC000160845040 364419163 /nfs/dbraw/zinc/41/91/63/364419163.db2.gz AAXKBEBPEFVGTM-UHFFFAOYSA-N 1 0 274.299 1.204 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc(NC(N)=O)c(OC)c1)[NH+](C)C ZINC000160847278 364419231 /nfs/dbraw/zinc/41/92/31/364419231.db2.gz KYOOTOOCMLHBQP-NSHDSACASA-N 1 0 294.355 1.465 20 70 CDIDRO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1N ZINC000161266785 364470772 /nfs/dbraw/zinc/47/07/72/364470772.db2.gz ARXWCZMSRRCCAO-CQSZACIVSA-N 1 0 263.341 1.606 20 70 CDIDRO CC[C@H](C(=O)NCc1ccc(C)c(OC)c1)[NH+](C)C ZINC000161497277 364502250 /nfs/dbraw/zinc/50/22/50/364502250.db2.gz LYUIGYJTWQXECD-CYBMUJFWSA-N 1 0 264.369 1.960 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161504087 375649155 /nfs/dbraw/zinc/64/91/55/375649155.db2.gz CSZZAHBVFZQOFB-JOYOIKCWSA-N 1 0 250.298 1.140 20 70 CDIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161500169 375642952 /nfs/dbraw/zinc/64/29/52/375642952.db2.gz SOANYCCVZGRRFJ-ZIAGYGMSSA-N 1 0 290.388 1.468 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000160686069 377101305 /nfs/dbraw/zinc/10/13/05/377101305.db2.gz CWACESWXCYXBKQ-UHFFFAOYSA-N 1 0 280.343 1.260 20 70 CDIDRO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CCn2ccnc2C1 ZINC000161302178 377184952 /nfs/dbraw/zinc/18/49/52/377184952.db2.gz NLUIQLAWUUYPQS-KGLIPLIRSA-N 1 0 291.395 1.503 20 70 CDIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159519929 390940210 /nfs/dbraw/zinc/94/02/10/390940210.db2.gz MBOLGCBFRPBJCI-ZFWWWQNUSA-N 1 0 298.390 1.958 20 70 CDIDRO COc1ccc2nc(C(=O)N3CCC[NH2+]CC3)ccc2c1 ZINC000160851908 533342012 /nfs/dbraw/zinc/34/20/12/533342012.db2.gz CNYPKHICKKFGKX-UHFFFAOYSA-N 1 0 285.347 1.679 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000218064178 140164470 /nfs/dbraw/zinc/16/44/70/140164470.db2.gz YVXACDRZDYHTOA-GFCCVEGCSA-N 1 0 263.385 1.658 20 70 CDIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160521639 279071499 /nfs/dbraw/zinc/07/14/99/279071499.db2.gz BBSJFQIJDBMPTK-WCQYABFASA-N 1 0 293.415 1.138 20 70 CDIDRO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159532817 281208680 /nfs/dbraw/zinc/20/86/80/281208680.db2.gz KKBCHRSDGLDJFE-CHWSQXEVSA-N 1 0 264.369 1.943 20 70 CDIDRO O=C(COC[C@H]1CCCO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159780850 292768511 /nfs/dbraw/zinc/76/85/11/292768511.db2.gz ICJOGNWBOOJAGV-OAHLLOKOSA-N 1 0 296.411 1.173 20 70 CDIDRO C[N@@H+]1CCN(C(=O)[C@@H]2CCCO2)C2(CCCCC2)C1 ZINC000159737501 290020552 /nfs/dbraw/zinc/02/05/52/290020552.db2.gz GXWFBJHXSKMWKL-ZDUSSCGKSA-N 1 0 266.385 1.642 20 70 CDIDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000217436557 295255286 /nfs/dbraw/zinc/25/52/86/295255286.db2.gz XGNWXTJXRKGWKW-OBJOEFQTSA-N 1 0 260.337 1.234 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1c(C)nn2cccnc12 ZINC000160535724 482811281 /nfs/dbraw/zinc/81/12/81/482811281.db2.gz CXJHMXCEUUCRQK-UHFFFAOYSA-N 1 0 275.356 1.285 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC000160765373 482823387 /nfs/dbraw/zinc/82/33/87/482823387.db2.gz ZDESHKZAHLVCDR-ZIAGYGMSSA-N 1 0 258.365 1.927 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000160884570 482836475 /nfs/dbraw/zinc/83/64/75/482836475.db2.gz CGVSTFRKHRBJJC-VHSXEESVSA-N 1 0 268.307 1.893 20 70 CDIDRO CN(C)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000161221743 482867661 /nfs/dbraw/zinc/86/76/61/482867661.db2.gz ZZQXWMMVPNTABZ-RYUDHWBXSA-N 1 0 262.357 1.147 20 70 CDIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000161510298 521142954 /nfs/dbraw/zinc/14/29/54/521142954.db2.gz GAELBVIAHSVUKX-OLZOCXBDSA-N 1 0 283.416 1.091 20 70 CDIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000161420525 523043228 /nfs/dbraw/zinc/04/32/28/523043228.db2.gz LVVJRACEKKTJSB-STQMWFEESA-N 1 0 276.446 1.874 20 70 CDIDRO CS[C@@H]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000159578077 361742160 /nfs/dbraw/zinc/74/21/60/361742160.db2.gz SMTMZFAWJXGJGB-FOGDFJRCSA-N 1 0 260.378 1.478 20 70 CDIDRO Cc1nnc(CN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000161354100 539117509 /nfs/dbraw/zinc/11/75/09/539117509.db2.gz NTBONCUBEGJMNU-UHFFFAOYSA-N 1 0 259.313 1.095 20 70 CDIDRO C[C@H]1CN(CC(=O)Nc2cccc(F)c2)CC[C@@H]1O ZINC000159404215 362319165 /nfs/dbraw/zinc/31/91/65/362319165.db2.gz SSNAGXZIVZAYIT-GWCFXTLKSA-N 1 0 266.316 1.467 20 70 CDIDRO Cc1cccn2c(=O)cc(CN(C)[C@@H](C[NH3+])C3CC3)nc12 ZINC000160140515 362397061 /nfs/dbraw/zinc/39/70/61/362397061.db2.gz ZXILHWIRUFPDCO-AWEZNQCLSA-N 1 0 286.379 1.172 20 70 CDIDRO CNC(=O)[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000160675527 362467037 /nfs/dbraw/zinc/46/70/37/362467037.db2.gz LFYKXMLJWIKMKC-ZDUSSCGKSA-N 1 0 253.390 1.073 20 70 CDIDRO CCC[C@@H](O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160930828 362555173 /nfs/dbraw/zinc/55/51/73/362555173.db2.gz HSXMEQCVLCXLKG-HUUCEWRRSA-N 1 0 299.459 1.957 20 70 CDIDRO CCCN(Cc1ccc(CO)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161099071 362588235 /nfs/dbraw/zinc/58/82/35/362588235.db2.gz BXIOYPDPZISXQH-NSHDSACASA-N 1 0 287.381 1.171 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000161383754 362914083 /nfs/dbraw/zinc/91/40/83/362914083.db2.gz GRASECYXPQSDAK-AWEZNQCLSA-N 1 0 290.411 1.396 20 70 CDIDRO COC1(C(=O)N(C)CCc2cccs2)CC[NH2+]CC1 ZINC000161395460 362929460 /nfs/dbraw/zinc/92/94/60/362929460.db2.gz LINZMASDBOXJAI-UHFFFAOYSA-N 1 0 282.409 1.518 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000161095594 362963204 /nfs/dbraw/zinc/96/32/04/362963204.db2.gz YPRFCBCLTMFYNS-CMPLNLGQSA-N 1 0 268.382 1.031 20 70 CDIDRO C[C@H](C(=O)N1CCCCC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159621137 363059221 /nfs/dbraw/zinc/05/92/21/363059221.db2.gz XESYUMXVVAUXEG-RDBSUJKOSA-N 1 0 268.401 1.480 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160069994 188453826 /nfs/dbraw/zinc/45/38/26/188453826.db2.gz UYOWFSIXWGXDKF-CQSZACIVSA-N 1 0 278.352 1.323 20 70 CDIDRO Cc1nn2c(nc(C)cc2C)c1C(=O)NCC(C)(C)[NH3+] ZINC000160045383 188452352 /nfs/dbraw/zinc/45/23/52/188452352.db2.gz ZUWSIHFZFSGLHA-UHFFFAOYSA-N 1 0 275.356 1.122 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000161191437 188513519 /nfs/dbraw/zinc/51/35/19/188513519.db2.gz OZJORVJMJRRXOK-UHFFFAOYSA-N 1 0 276.262 1.384 20 70 CDIDRO CC(C)(C(=O)NCC[NH3+])c1ccc(Br)cc1 ZINC000217247705 358988317 /nfs/dbraw/zinc/98/83/17/358988317.db2.gz BTTKUUACYKTOLH-UHFFFAOYSA-N 1 0 285.185 1.802 20 70 CDIDRO [NH3+]C[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCO1 ZINC000160024043 360358340 /nfs/dbraw/zinc/35/83/40/360358340.db2.gz FWYOBBTYAHYPPT-GFCCVEGCSA-N 1 0 280.759 1.147 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000160372601 363835914 /nfs/dbraw/zinc/83/59/14/363835914.db2.gz JXKAWINVVILKMW-MGPQQGTHSA-N 1 0 268.401 1.791 20 70 CDIDRO CCOC(=O)N(C)C1CC[NH+](CCOCC2CC2)CC1 ZINC000160318265 363814197 /nfs/dbraw/zinc/81/41/97/363814197.db2.gz DNIBIFAFAWOANE-UHFFFAOYSA-N 1 0 284.400 1.966 20 70 CDIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000160601658 364079161 /nfs/dbraw/zinc/07/91/61/364079161.db2.gz GODUSHDUIGWJJE-MNOVXSKESA-N 1 0 258.362 1.032 20 70 CDIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)c(OC)c1 ZINC000159472835 364213084 /nfs/dbraw/zinc/21/30/84/364213084.db2.gz FMPQFUZEBUVMDO-QWRGUYRKSA-N 1 0 296.367 1.343 20 70 CDIDRO C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000159978418 364289010 /nfs/dbraw/zinc/28/90/10/364289010.db2.gz ZBKNCFFKVJWXPX-TZMCWYRMSA-N 1 0 289.379 1.061 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160542429 364370844 /nfs/dbraw/zinc/37/08/44/364370844.db2.gz FDVJYRJXCAUMDP-NSHDSACASA-N 1 0 264.344 1.829 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@@H]2CSCN2)o1 ZINC000160636003 364386120 /nfs/dbraw/zinc/38/61/20/364386120.db2.gz VZSBTSUYXYUMQJ-QMMMGPOBSA-N 1 0 269.370 1.251 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000161062083 364443193 /nfs/dbraw/zinc/44/31/93/364443193.db2.gz WPZJREINUAMRRE-JTQLQIEISA-N 1 0 270.716 1.802 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc(C(=O)OCC)o1 ZINC000161230909 364468034 /nfs/dbraw/zinc/46/80/34/364468034.db2.gz BQMZFFNBMXNJCC-UHFFFAOYSA-N 1 0 255.314 1.661 20 70 CDIDRO C[C@]1(C(=O)Nn2cnc3ccccc32)CCC[NH2+]C1 ZINC000161314102 364475604 /nfs/dbraw/zinc/47/56/04/364475604.db2.gz ZJKCOPDOHCRMSN-AWEZNQCLSA-N 1 0 258.325 1.496 20 70 CDIDRO COCC[NH2+]CC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000161425180 372797449 /nfs/dbraw/zinc/79/74/49/372797449.db2.gz KMGOHHSVZAHXLW-ZFWWWQNUSA-N 1 0 276.380 1.627 20 70 CDIDRO CC(C)C[C@H](C(=O)NCC(C)(C)[NH3+])N1CCCCC1=O ZINC000160101057 139909411 /nfs/dbraw/zinc/90/94/11/139909411.db2.gz KJMVOVCAGUFOHH-GFCCVEGCSA-N 1 0 283.416 1.267 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cc(-c2ccncc2)on1 ZINC000160108612 377046072 /nfs/dbraw/zinc/04/60/72/377046072.db2.gz BMPLUXWAKVAQCP-UHFFFAOYSA-N 1 0 260.297 1.204 20 70 CDIDRO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000160333579 377056716 /nfs/dbraw/zinc/05/67/16/377056716.db2.gz XVIJYNKZMUHKBH-GFCCVEGCSA-N 1 0 269.389 1.733 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160451815 377089198 /nfs/dbraw/zinc/08/91/98/377089198.db2.gz QTGOPJIOGICSEZ-HIFRSBDPSA-N 1 0 290.363 1.935 20 70 CDIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000161231497 377494241 /nfs/dbraw/zinc/49/42/41/377494241.db2.gz QQNJAYNLYGMWIQ-UHFFFAOYSA-N 1 0 298.431 1.014 20 70 CDIDRO CC(C)n1nccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161338173 377590291 /nfs/dbraw/zinc/59/02/91/377590291.db2.gz IAOBZLYDUXCPII-ZDUSSCGKSA-N 1 0 276.384 1.774 20 70 CDIDRO CCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159419888 390939835 /nfs/dbraw/zinc/93/98/35/390939835.db2.gz OXNMXMPIRCBCGV-CYBMUJFWSA-N 1 0 253.390 1.201 20 70 CDIDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC(F)(F)F ZINC000160668616 391562120 /nfs/dbraw/zinc/56/21/20/391562120.db2.gz IEOZRJJIWLWSSN-QMMMGPOBSA-N 1 0 253.268 1.284 20 70 CDIDRO CCc1ncnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000217990095 140164816 /nfs/dbraw/zinc/16/48/16/140164816.db2.gz KIYAZFOTJXZSCC-SECBINFHSA-N 1 0 250.321 1.827 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160222691 147713446 /nfs/dbraw/zinc/71/34/46/147713446.db2.gz CBHKSNGHLCVWBF-CABZTGNLSA-N 1 0 265.357 1.481 20 70 CDIDRO C[C@@H](CC(=O)N1CCN(C)C(=O)C1(C)C)C1CC[NH2+]CC1 ZINC000160870577 147725647 /nfs/dbraw/zinc/72/56/47/147725647.db2.gz ALSHXMDXNAPKBH-LBPRGKRZSA-N 1 0 295.427 1.091 20 70 CDIDRO COc1cc(OC)nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000159801039 286242480 /nfs/dbraw/zinc/24/24/80/286242480.db2.gz GKOVTSZRSHLTDS-LBPRGKRZSA-N 1 0 292.383 1.462 20 70 CDIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000160354212 276026057 /nfs/dbraw/zinc/02/60/57/276026057.db2.gz HBBGNTKVUHTXDN-KGLIPLIRSA-N 1 0 268.401 1.650 20 70 CDIDRO CC[C@H](COC)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161183612 276628478 /nfs/dbraw/zinc/62/84/78/276628478.db2.gz VWNSCKGMCHFKNE-CYBMUJFWSA-N 1 0 280.416 1.952 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000161246298 277278567 /nfs/dbraw/zinc/27/85/67/277278567.db2.gz QEXWHTIOVPKOKD-JTQLQIEISA-N 1 0 263.341 1.377 20 70 CDIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160539028 292789218 /nfs/dbraw/zinc/78/92/18/292789218.db2.gz NVZIKQQOMZCETR-WCQYABFASA-N 1 0 276.371 1.857 20 70 CDIDRO CC[C@H](COC)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161148224 292801112 /nfs/dbraw/zinc/80/11/12/292801112.db2.gz XGIQZYVNFQEMIA-GFCCVEGCSA-N 1 0 251.326 1.972 20 70 CDIDRO Cc1cc(C)n(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000160555158 301238604 /nfs/dbraw/zinc/23/86/04/301238604.db2.gz MGYJDWBQFNHBQM-OAHLLOKOSA-N 1 0 292.427 1.737 20 70 CDIDRO CCCn1nc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161002185 482359885 /nfs/dbraw/zinc/35/98/85/482359885.db2.gz USDFWZAPUFFYKM-QWHCGFSZSA-N 1 0 278.400 1.910 20 70 CDIDRO OCC1(C[NH2+]C[C@@H](O)COCc2ccccc2)CCCC1 ZINC000160155952 482785647 /nfs/dbraw/zinc/78/56/47/482785647.db2.gz RSJKHYZHEQCFMB-MRXNPFEDSA-N 1 0 293.407 1.706 20 70 CDIDRO COC(C)(C)CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000160391308 482797768 /nfs/dbraw/zinc/79/77/68/482797768.db2.gz BHKVOMVZMQITKI-UHFFFAOYSA-N 1 0 262.353 1.487 20 70 CDIDRO CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000160861569 482832686 /nfs/dbraw/zinc/83/26/86/482832686.db2.gz IGWDVTHMOAIDBT-NWDGAFQWSA-N 1 0 293.342 1.784 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(OCCOC)CC1 ZINC000161221679 482868272 /nfs/dbraw/zinc/86/82/72/482868272.db2.gz ACXWVGDPELEAJR-UHFFFAOYSA-N 1 0 286.416 1.406 20 70 CDIDRO CC(C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160810449 519359474 /nfs/dbraw/zinc/35/94/74/519359474.db2.gz CFSPTVYWAUSQTR-LLVKDONJSA-N 1 0 269.389 1.073 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160414204 520880571 /nfs/dbraw/zinc/88/05/71/520880571.db2.gz VCHSOQSFLUJAPC-LBPRGKRZSA-N 1 0 292.379 1.820 20 70 CDIDRO CC[C@@H](C(=O)N[C@H]1COc2ccc(C)cc21)[NH+](C)C ZINC000161150578 521862603 /nfs/dbraw/zinc/86/26/03/521862603.db2.gz PPVSEDGTMWKOTC-STQMWFEESA-N 1 0 262.353 1.885 20 70 CDIDRO [NH3+]CCCNC(=O)c1cnc(Cc2ccccc2)s1 ZINC000160178240 534616319 /nfs/dbraw/zinc/61/63/19/534616319.db2.gz ZSUKPCZGCXMBRX-UHFFFAOYSA-N 1 0 275.377 1.813 20 70 CDIDRO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@@H]1CCCC[C@@H]1O ZINC000161087335 522512895 /nfs/dbraw/zinc/51/28/95/522512895.db2.gz APVKVNBUZALWKK-KGLIPLIRSA-N 1 0 280.343 2.000 20 70 CDIDRO Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1F ZINC000161419369 524192628 /nfs/dbraw/zinc/19/26/28/524192628.db2.gz XNCMMCABVILSJO-UHFFFAOYSA-N 1 0 250.317 1.960 20 70 CDIDRO COc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1N ZINC000161218530 524476265 /nfs/dbraw/zinc/47/62/65/524476265.db2.gz NRVBHAJRIQLLFC-UHFFFAOYSA-N 1 0 263.341 1.606 20 70 CDIDRO c1nc2ccccn2c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000160798609 526609720 /nfs/dbraw/zinc/60/97/20/526609720.db2.gz ANUOISZHGJFZFW-AWEZNQCLSA-N 1 0 286.379 1.241 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000160106424 527255554 /nfs/dbraw/zinc/25/55/54/527255554.db2.gz VXBGMXSYDUZXEA-GFCCVEGCSA-N 1 0 292.379 1.712 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)CO ZINC000160993796 527970299 /nfs/dbraw/zinc/97/02/99/527970299.db2.gz ZVINYDQAADHGAF-KGLIPLIRSA-N 1 0 285.432 1.425 20 70 CDIDRO CC1(O)CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000161231447 528042372 /nfs/dbraw/zinc/04/23/72/528042372.db2.gz XVNVNJQTBATFAX-UHFFFAOYSA-N 1 0 273.336 1.041 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CSC)CC1 ZINC000159883960 529030703 /nfs/dbraw/zinc/03/07/03/529030703.db2.gz MYNXJWWKXSUTEK-LLVKDONJSA-N 1 0 259.419 1.475 20 70 CDIDRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH3+] ZINC000160130993 529249010 /nfs/dbraw/zinc/24/90/10/529249010.db2.gz SGUFAUIIQJKATR-LLVKDONJSA-N 1 0 270.760 1.962 20 70 CDIDRO COCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000159725495 361812907 /nfs/dbraw/zinc/81/29/07/361812907.db2.gz QUSQMIQYKJMKRW-STQMWFEESA-N 1 0 268.401 1.602 20 70 CDIDRO O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000159732763 361817494 /nfs/dbraw/zinc/81/74/94/361817494.db2.gz FIVMLWCGTOHWDX-UONOGXRCSA-N 1 0 258.365 1.832 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCCCOC)CC1 ZINC000159779895 361844027 /nfs/dbraw/zinc/84/40/27/361844027.db2.gz OANYTVPNYHYNED-UHFFFAOYSA-N 1 0 271.405 1.540 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160143389 362037931 /nfs/dbraw/zinc/03/79/31/362037931.db2.gz OOCHMQSYLWECRF-STQMWFEESA-N 1 0 275.352 1.036 20 70 CDIDRO COc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000160180272 365775108 /nfs/dbraw/zinc/77/51/08/365775108.db2.gz LYCPKWQMGFSIAP-FVOPLDGLSA-N 1 0 276.336 1.277 20 70 CDIDRO C[N@H+](CCc1ccc2c(c1)CCO2)[C@@H](CN)C1CC1 ZINC000160168183 362401959 /nfs/dbraw/zinc/40/19/59/362401959.db2.gz LYLVNXOKWICVLM-HNNXBMFYSA-N 1 0 260.381 1.833 20 70 CDIDRO C[C@@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000160149501 362398113 /nfs/dbraw/zinc/39/81/13/362398113.db2.gz RZSDLJFMCBADGB-DOMZBBRYSA-N 1 0 275.396 1.533 20 70 CDIDRO CO[C@@]1(C[NH2+]CCc2ccc3c(c2)CCO3)CCOC1 ZINC000160337995 362414571 /nfs/dbraw/zinc/41/45/71/362414571.db2.gz HKDBNAXGTKHIQQ-MRXNPFEDSA-N 1 0 277.364 1.559 20 70 CDIDRO CC[C@@H](COC)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159448547 344957219 /nfs/dbraw/zinc/95/72/19/344957219.db2.gz ASXQTBUOJVGLJM-NEPJUHHUSA-N 1 0 257.378 1.052 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCCCOc1cccc(OC)c1 ZINC000161360604 362794730 /nfs/dbraw/zinc/79/47/30/362794730.db2.gz PIOJRVDOYOLOFM-AWEZNQCLSA-N 1 0 280.368 1.708 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000161375833 362844444 /nfs/dbraw/zinc/84/44/44/362844444.db2.gz KBJWJXSONHKWBB-CQSZACIVSA-N 1 0 284.363 1.696 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)NCC1(C2CC2)CCC1 ZINC000159636133 363090959 /nfs/dbraw/zinc/09/09/59/363090959.db2.gz QTPJKWYNUFCWSG-UHFFFAOYSA-N 1 0 297.443 1.834 20 70 CDIDRO COc1cc(OC)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000159772149 363294591 /nfs/dbraw/zinc/29/45/91/363294591.db2.gz JYWBNHRLCXZHQF-JTQLQIEISA-N 1 0 278.356 1.390 20 70 CDIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159806240 363329657 /nfs/dbraw/zinc/32/96/57/363329657.db2.gz GKCCBXGMWCNGGL-LLVKDONJSA-N 1 0 280.347 1.362 20 70 CDIDRO CCC[N@H+](CC)CCNC(=O)NC[C@H](C)SC ZINC000159963779 363521510 /nfs/dbraw/zinc/52/15/10/363521510.db2.gz OGSWCBNPWVHVOE-NSHDSACASA-N 1 0 261.435 1.769 20 70 CDIDRO CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000160300464 237174495 /nfs/dbraw/zinc/17/44/95/237174495.db2.gz BOACGIXHRKMIOO-NXEZZACHSA-N 1 0 283.397 1.722 20 70 CDIDRO Cc1c(C[NH2+]C[C@@H](O)c2cccc(F)c2)cnn1C ZINC000161055818 360708698 /nfs/dbraw/zinc/70/86/98/360708698.db2.gz RBDNPFNCAOBTLE-CQSZACIVSA-N 1 0 263.316 1.691 20 70 CDIDRO COC(=O)C1([N@H+](C)CCCN2CCOCC2)CCCC1 ZINC000159428136 361695390 /nfs/dbraw/zinc/69/53/90/361695390.db2.gz BQWKCZRBHTVGHW-UHFFFAOYSA-N 1 0 284.400 1.126 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537664 361732310 /nfs/dbraw/zinc/73/23/10/361732310.db2.gz LNNOFFSTWRFZCP-GFCCVEGCSA-N 1 0 292.379 1.346 20 70 CDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000160548446 363985218 /nfs/dbraw/zinc/98/52/18/363985218.db2.gz FXRSMWZKBRUIDR-KBPBESRZSA-N 1 0 297.443 1.434 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000159425799 364204721 /nfs/dbraw/zinc/20/47/21/364204721.db2.gz CANSNUUWZXETKG-ZJUUUORDSA-N 1 0 256.371 1.065 20 70 CDIDRO C[C@H](CCO)NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000159591317 364238215 /nfs/dbraw/zinc/23/82/15/364238215.db2.gz CBHUMMHBHVZACZ-ZIAGYGMSSA-N 1 0 293.411 1.577 20 70 CDIDRO CC(C)COC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000160320610 364334282 /nfs/dbraw/zinc/33/42/82/364334282.db2.gz PKLHSXLITMBFSA-AWEZNQCLSA-N 1 0 298.452 1.904 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159897426 364279467 /nfs/dbraw/zinc/27/94/67/364279467.db2.gz XEMZEXPIZQWOCO-JQWIXIFHSA-N 1 0 295.408 1.210 20 70 CDIDRO C[C@@H](CO)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160364388 364340904 /nfs/dbraw/zinc/34/09/04/364340904.db2.gz YIURYDARGJMFAX-GOEBONIOSA-N 1 0 290.407 1.738 20 70 CDIDRO Cc1cc(NC(=O)[C@@H](C)SCCN2CCOCC2)on1 ZINC000159976811 364288711 /nfs/dbraw/zinc/28/87/11/364288711.db2.gz WKRNMOUQHQGHBJ-LLVKDONJSA-N 1 0 299.396 1.375 20 70 CDIDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159989118 364290398 /nfs/dbraw/zinc/29/03/98/364290398.db2.gz ZYSZURZCZBBECN-CYBMUJFWSA-N 1 0 276.380 1.882 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000160147197 364312088 /nfs/dbraw/zinc/31/20/88/364312088.db2.gz OBDRIADKTZSNRN-RYUDHWBXSA-N 1 0 272.389 1.596 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccsc2)C1 ZINC000160441691 364353713 /nfs/dbraw/zinc/35/37/13/364353713.db2.gz STGHEBJBYAMWCG-MIMYLULJSA-N 1 0 254.355 1.025 20 70 CDIDRO C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH+]1CCCCC1 ZINC000160528666 364367853 /nfs/dbraw/zinc/36/78/53/364367853.db2.gz ARCKGPDUGXPUIV-CYBMUJFWSA-N 1 0 291.395 1.237 20 70 CDIDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1F ZINC000161484960 364501879 /nfs/dbraw/zinc/50/18/79/364501879.db2.gz CBUPHVJIFDTCTD-LLVKDONJSA-N 1 0 250.317 1.816 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000160669164 364705819 /nfs/dbraw/zinc/70/58/19/364705819.db2.gz BWQKVDZHLUBBGO-CYBMUJFWSA-N 1 0 296.436 1.942 20 70 CDIDRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161470029 373756503 /nfs/dbraw/zinc/75/65/03/373756503.db2.gz NCFWONUMNYDXCZ-RNODOKPDSA-N 1 0 294.420 1.525 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000160237933 377042097 /nfs/dbraw/zinc/04/20/97/377042097.db2.gz NTXUCYRREGCXCN-CKYFFXLPSA-N 1 0 266.291 1.628 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000160531428 377084401 /nfs/dbraw/zinc/08/44/01/377084401.db2.gz HXQLGSCTFGMAGG-CYBMUJFWSA-N 1 0 295.427 1.269 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCOCC(F)(F)F)CC1 ZINC000161439876 377629210 /nfs/dbraw/zinc/62/92/10/377629210.db2.gz ONJWSHZROLVNRI-UHFFFAOYSA-N 1 0 296.333 1.992 20 70 CDIDRO C[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])NC(=O)C1CCCC1 ZINC000160356689 391507778 /nfs/dbraw/zinc/50/77/78/391507778.db2.gz PZSYUOJBEHPDAR-AAEUAGOBSA-N 1 0 281.400 1.021 20 70 CDIDRO [NH3+]C[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000217550525 392962721 /nfs/dbraw/zinc/96/27/21/392962721.db2.gz SRFCCULLGNPKRS-HRCADAONSA-N 1 0 293.455 1.838 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CSC(F)(F)F ZINC000160436462 139911152 /nfs/dbraw/zinc/91/11/52/139911152.db2.gz UPJZKBFHNSXNJD-UHFFFAOYSA-N 1 0 258.309 1.873 20 70 CDIDRO CN(Cc1nc(-c2ccccc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160156075 147709848 /nfs/dbraw/zinc/70/98/48/147709848.db2.gz SMIPCYFMRKYVCD-ZDUSSCGKSA-N 1 0 272.352 1.906 20 70 CDIDRO COCCC1(C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000159687016 292295144 /nfs/dbraw/zinc/29/51/44/292295144.db2.gz TWMYPWIPGCNCLE-UHFFFAOYSA-N 1 0 268.401 1.971 20 70 CDIDRO CC(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159630981 424142767 /nfs/dbraw/zinc/14/27/67/424142767.db2.gz BQDGSNJOYKOLNB-CHWSQXEVSA-N 1 0 254.374 1.260 20 70 CDIDRO CN(CC(=O)N1CCc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000160120215 273828449 /nfs/dbraw/zinc/82/84/49/273828449.db2.gz PFRYVXYMKUQLLL-HNNXBMFYSA-N 1 0 273.380 1.245 20 70 CDIDRO CCc1ncsc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000160124360 276705147 /nfs/dbraw/zinc/70/51/47/276705147.db2.gz QLVHJRUJNCXKHD-UHFFFAOYSA-N 1 0 297.424 1.546 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000159896569 277533639 /nfs/dbraw/zinc/53/36/39/277533639.db2.gz YCXYWZDQKPABCU-HUUCEWRRSA-N 1 0 290.407 1.935 20 70 CDIDRO COc1ccc(/C=C\C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000217464242 280088820 /nfs/dbraw/zinc/08/88/20/280088820.db2.gz RYLOCKCEHFROQH-PIZKADEWSA-N 1 0 274.364 1.824 20 70 CDIDRO CC[NH+](CC)CCSCC(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000159568411 292761646 /nfs/dbraw/zinc/76/16/46/292761646.db2.gz YRMLSPLPMJZZRY-UHFFFAOYSA-N 1 0 297.424 1.697 20 70 CDIDRO C[C@@H](CNC(=O)NCc1ncccc1F)C[NH+]1CCCC1 ZINC000159663652 292764487 /nfs/dbraw/zinc/76/44/87/292764487.db2.gz VQSOLAYIVCLKSC-LBPRGKRZSA-N 1 0 294.374 1.752 20 70 CDIDRO CSC[C@H](CCO)[NH2+]C1CCN(CC(F)F)CC1 ZINC000160263323 292781988 /nfs/dbraw/zinc/78/19/88/292781988.db2.gz ZJQTUSSVIZOSKJ-NSHDSACASA-N 1 0 282.400 1.420 20 70 CDIDRO CC1(C)C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)(C)O1 ZINC000160608270 292791462 /nfs/dbraw/zinc/79/14/62/292791462.db2.gz AYYREDSFCHZKTO-QMMMGPOBSA-N 1 0 282.306 1.601 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000161074507 292799217 /nfs/dbraw/zinc/79/92/17/292799217.db2.gz GGTYIDGJKQCKOC-ZDUSSCGKSA-N 1 0 254.374 1.545 20 70 CDIDRO O[C@@H](C1CC[NH+](CCn2cccn2)CC1)C(F)(F)F ZINC000161201288 292801780 /nfs/dbraw/zinc/80/17/80/292801780.db2.gz PMPMJJFZJJXNSS-NSHDSACASA-N 1 0 277.290 1.518 20 70 CDIDRO CCCCOCCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160318227 482795189 /nfs/dbraw/zinc/79/51/89/482795189.db2.gz WWMOZVMZGRRTRA-LBPRGKRZSA-N 1 0 296.333 1.851 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000161120921 482861370 /nfs/dbraw/zinc/86/13/70/482861370.db2.gz WFWLYFDNYRNLAB-UHFFFAOYSA-N 1 0 290.411 1.750 20 70 CDIDRO CCOc1ccccc1OCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161169630 482865578 /nfs/dbraw/zinc/86/55/78/482865578.db2.gz JSYMLEMUYLSLFY-STQMWFEESA-N 1 0 292.379 1.850 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCCOCC)CC1 ZINC000160395143 519848919 /nfs/dbraw/zinc/84/89/19/519848919.db2.gz YHNOFRVWFXXPNL-UHFFFAOYSA-N 1 0 256.390 1.747 20 70 CDIDRO COC(CN1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000161264677 522533254 /nfs/dbraw/zinc/53/32/54/522533254.db2.gz OSRQKEZHJDFCND-CYBMUJFWSA-N 1 0 256.390 1.413 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161044610 534508523 /nfs/dbraw/zinc/50/85/23/534508523.db2.gz NIMFQVZOOKPWSM-UHFFFAOYSA-N 1 0 289.339 1.106 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160812765 520874408 /nfs/dbraw/zinc/87/44/08/520874408.db2.gz XIIILFIFEFDKGP-CMPLNLGQSA-N 1 0 258.362 1.031 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000160833577 520880487 /nfs/dbraw/zinc/88/04/87/520880487.db2.gz XXVNKTXLEWRIGT-LBPRGKRZSA-N 1 0 292.379 1.820 20 70 CDIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000161182670 521597339 /nfs/dbraw/zinc/59/73/39/521597339.db2.gz GLFXKDPVFKWWRQ-GXTWGEPZSA-N 1 0 250.390 1.945 20 70 CDIDRO COC1(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC[NH2+]CC1 ZINC000159575885 522555041 /nfs/dbraw/zinc/55/50/41/522555041.db2.gz BMYKSELLHMVVCJ-NEPJUHHUSA-N 1 0 286.441 1.545 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000161468791 528337345 /nfs/dbraw/zinc/33/73/45/528337345.db2.gz KEOMNDPGRXBZLX-QWHCGFSZSA-N 1 0 283.416 1.091 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159590550 361738326 /nfs/dbraw/zinc/73/83/26/361738326.db2.gz HPFIEPQMFXAZDG-MNOVXSKESA-N 1 0 258.325 1.397 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568528 361738909 /nfs/dbraw/zinc/73/89/09/361738909.db2.gz YVPZWAXBAPRYAO-JTQLQIEISA-N 1 0 250.317 1.879 20 70 CDIDRO CC1(C)C[C@@H]([NH2+]CCCN2CCCC2=O)C(C)(C)O1 ZINC000159566900 361739441 /nfs/dbraw/zinc/73/94/41/361739441.db2.gz AYOJVWLURURZSI-GFCCVEGCSA-N 1 0 268.401 1.935 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000159669277 361768312 /nfs/dbraw/zinc/76/83/12/361768312.db2.gz FISWMBJZDIPWOT-GFCCVEGCSA-N 1 0 288.363 1.704 20 70 CDIDRO CO[C@H]1CCN(C(=O)CC2CCSCC2)[C@H](C[NH3+])C1 ZINC000161065062 342073040 /nfs/dbraw/zinc/07/30/40/342073040.db2.gz CFNWIKVNTCZEFS-STQMWFEESA-N 1 0 286.441 1.484 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc21 ZINC000159734287 361818987 /nfs/dbraw/zinc/81/89/87/361818987.db2.gz YGDRHJLVVYCDIW-TZMCWYRMSA-N 1 0 278.421 1.913 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000161126925 361876753 /nfs/dbraw/zinc/87/67/53/361876753.db2.gz GVQOZBHQUWIXED-DOMZBBRYSA-N 1 0 294.395 1.952 20 70 CDIDRO COC1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCOCC1 ZINC000159406149 539114114 /nfs/dbraw/zinc/11/41/14/539114114.db2.gz PQKWPZHWFVWBFO-AWEZNQCLSA-N 1 0 298.427 1.563 20 70 CDIDRO Cc1c(C[NH2+]CC(=O)Nc2ccc(F)cc2)cnn1C ZINC000161395528 539117672 /nfs/dbraw/zinc/11/76/72/539117672.db2.gz LEZVSLGFPXKXTR-UHFFFAOYSA-N 1 0 276.315 1.596 20 70 CDIDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CCOCC1 ZINC000160826756 342377997 /nfs/dbraw/zinc/37/79/97/342377997.db2.gz RFPBLUBTHHNGGS-MLGOLLRUSA-N 1 0 288.391 1.805 20 70 CDIDRO CC(C)[NH+](CCNC(=O)N[C@@H]1CCOC1)C(C)C ZINC000159372795 362316683 /nfs/dbraw/zinc/31/66/83/362316683.db2.gz VROCVAWZBUOKHF-GFCCVEGCSA-N 1 0 257.378 1.193 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000159429513 362320864 /nfs/dbraw/zinc/32/08/64/362320864.db2.gz ZZMKJMIEEICHPT-GFCCVEGCSA-N 1 0 293.367 1.127 20 70 CDIDRO C[C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)O1 ZINC000159559941 362329235 /nfs/dbraw/zinc/32/92/35/362329235.db2.gz FWNBIHRQTWTUGR-WFASDCNBSA-N 1 0 276.380 1.932 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000159973478 362384044 /nfs/dbraw/zinc/38/40/44/362384044.db2.gz ZIEOBJUIEBLGEI-LBPRGKRZSA-N 1 0 290.335 1.323 20 70 CDIDRO Cc1ccccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160150363 362399099 /nfs/dbraw/zinc/39/90/99/362399099.db2.gz HXVXOKGMAZRCPU-CQSZACIVSA-N 1 0 261.369 1.603 20 70 CDIDRO CC(C)[NH+]1CCN(CC(=O)OCc2ccccc2)CC1 ZINC000218686121 344874900 /nfs/dbraw/zinc/87/49/00/344874900.db2.gz SCGNXPJMRWLWPQ-UHFFFAOYSA-N 1 0 276.380 1.756 20 70 CDIDRO CCN(CC(=O)N1CCC[C@@H](C)C1)Cc1cnn(C)c1 ZINC000161099477 362588383 /nfs/dbraw/zinc/58/83/83/362588383.db2.gz HITDILKPJBZDNT-CYBMUJFWSA-N 1 0 278.400 1.501 20 70 CDIDRO O=C([C@H]1CCC[N@H+](Cc2cncs2)C1)N1CCCC1 ZINC000217632980 346215064 /nfs/dbraw/zinc/21/50/64/346215064.db2.gz FNTBFDQOIKEKFG-LBPRGKRZSA-N 1 0 279.409 1.978 20 70 CDIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000160711770 346220075 /nfs/dbraw/zinc/22/00/75/346220075.db2.gz QBRQJRHKWXMZRP-CYBMUJFWSA-N 1 0 253.390 1.911 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSC[C@H]1CCCCO1 ZINC000161320294 362768697 /nfs/dbraw/zinc/76/86/97/362768697.db2.gz VLSGDCVKIISTLB-QWHCGFSZSA-N 1 0 286.441 1.499 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCCCc1cccc(Br)c1 ZINC000159519576 482681712 /nfs/dbraw/zinc/68/17/12/482681712.db2.gz IGWRBNUZXBTNPB-VIFPVBQESA-N 1 0 285.185 1.845 20 70 CDIDRO CCCN(CCC)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159696887 363203966 /nfs/dbraw/zinc/20/39/66/363203966.db2.gz DKUQBGWUCBUXAD-KGLIPLIRSA-N 1 0 270.417 1.728 20 70 CDIDRO CC(C)(C)c1nc(CC(=O)NCCC[NH3+])cs1 ZINC000160173587 188458573 /nfs/dbraw/zinc/45/85/73/188458573.db2.gz SZFQCKNQWOSYDQ-UHFFFAOYSA-N 1 0 255.387 1.448 20 70 CDIDRO CC(C)(C(=O)NCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000160013359 188450653 /nfs/dbraw/zinc/45/06/53/188450653.db2.gz JYIZMVPYSUWTPH-UHFFFAOYSA-N 1 0 278.352 1.200 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N(CCOC)CCOc1ccc(F)cc1 ZINC000159402561 358479574 /nfs/dbraw/zinc/47/95/74/358479574.db2.gz LVVSOSCQJBWESO-AWEZNQCLSA-N 1 0 298.358 1.417 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)SC ZINC000159838253 363367400 /nfs/dbraw/zinc/36/74/00/363367400.db2.gz XBVCQYHPMZZYLC-LLVKDONJSA-N 1 0 261.435 1.769 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000161169500 358789516 /nfs/dbraw/zinc/78/95/16/358789516.db2.gz ZYELEWUBVJPSET-DOMZBBRYSA-N 1 0 280.343 1.580 20 70 CDIDRO C[C@H](CNC(=O)[C@@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000160160743 363701412 /nfs/dbraw/zinc/70/14/12/363701412.db2.gz ZZOZSHZQLJOAQA-OLZOCXBDSA-N 1 0 295.452 1.604 20 70 CDIDRO CN(CC(=O)Nc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000160083315 360504520 /nfs/dbraw/zinc/50/45/20/360504520.db2.gz KCKFUWHXVSQVMU-CYBMUJFWSA-N 1 0 281.787 1.948 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000160680847 360724664 /nfs/dbraw/zinc/72/46/64/360724664.db2.gz BJHXTOCKGUTCBD-CQSZACIVSA-N 1 0 279.432 1.770 20 70 CDIDRO O=C(c1cnc(-c2ccccn2)s1)N1CCC[NH2+]CC1 ZINC000160858867 361439422 /nfs/dbraw/zinc/43/94/22/361439422.db2.gz HHASCNMQLVIFOC-UHFFFAOYSA-N 1 0 288.376 1.641 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159370850 361672192 /nfs/dbraw/zinc/67/21/92/361672192.db2.gz MZCALTOBCULQRN-UHFFFAOYSA-N 1 0 295.427 1.282 20 70 CDIDRO COC(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1Cl ZINC000159463002 364212120 /nfs/dbraw/zinc/21/21/20/364212120.db2.gz SOXWIXXYABKAJY-UHFFFAOYSA-N 1 0 268.700 1.556 20 70 CDIDRO CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000159488410 364217470 /nfs/dbraw/zinc/21/74/70/364217470.db2.gz GYEJFJBPTQECOT-OAHLLOKOSA-N 1 0 290.407 1.750 20 70 CDIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159805996 364269380 /nfs/dbraw/zinc/26/93/80/364269380.db2.gz SNYTWZDIKSMNGE-LNSITVRQSA-N 1 0 292.354 1.519 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159823443 364270273 /nfs/dbraw/zinc/27/02/73/364270273.db2.gz VGJHJARPRCRQRF-SWLSCSKDSA-N 1 0 260.381 1.979 20 70 CDIDRO CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159818067 364270603 /nfs/dbraw/zinc/27/06/03/364270603.db2.gz ODEAHPMQTHKSNB-HIFRSBDPSA-N 1 0 276.380 1.742 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c(C)noc2C)CC1 ZINC000159832581 364272200 /nfs/dbraw/zinc/27/22/00/364272200.db2.gz BZYBPWRLISWHIF-UHFFFAOYSA-N 1 0 294.399 1.571 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000159926561 364282477 /nfs/dbraw/zinc/28/24/77/364282477.db2.gz FBVJSPDYFPDJEF-UHFFFAOYSA-N 1 0 279.365 1.198 20 70 CDIDRO CCOc1cc(CCCNC(=O)C[NH3+])ccc1OC ZINC000160062789 364300277 /nfs/dbraw/zinc/30/02/77/364300277.db2.gz BZFRLFWFWYAAMT-UHFFFAOYSA-N 1 0 266.341 1.101 20 70 CDIDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCC[NH3+] ZINC000160096353 364306099 /nfs/dbraw/zinc/30/60/99/364306099.db2.gz QDKOSNPKMRAFBX-UHFFFAOYSA-N 1 0 290.342 1.707 20 70 CDIDRO CC[NH+](CC)CCN(CCOC)c1nccc(C)n1 ZINC000160429580 364352259 /nfs/dbraw/zinc/35/22/59/364352259.db2.gz WMXBYUFBZZXFEB-UHFFFAOYSA-N 1 0 266.389 1.580 20 70 CDIDRO CCCCOc1ccc(CN2CCNC(=O)C2)cc1 ZINC000160502967 364363383 /nfs/dbraw/zinc/36/33/83/364363383.db2.gz NFHWAFJHKVMUDJ-UHFFFAOYSA-N 1 0 262.353 1.797 20 70 CDIDRO CC(C)(C)c1cnc(CNC(=O)[C@H]2CSCN2)o1 ZINC000160636110 364386648 /nfs/dbraw/zinc/38/66/48/364386648.db2.gz VZSBTSUYXYUMQJ-MRVPVSSYSA-N 1 0 269.370 1.251 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1C ZINC000161162063 367420747 /nfs/dbraw/zinc/42/07/47/367420747.db2.gz FKDNVIMUMORKHA-LBPRGKRZSA-N 1 0 278.400 1.771 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000160554293 377087604 /nfs/dbraw/zinc/08/76/04/377087604.db2.gz KGWFTXMBJAGDDP-QWHCGFSZSA-N 1 0 286.416 1.594 20 70 CDIDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000161407907 377618396 /nfs/dbraw/zinc/61/83/96/377618396.db2.gz XWGQKLSKZRRCTA-AWEZNQCLSA-N 1 0 290.411 1.246 20 70 CDIDRO COc1cccc(CCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160348856 391508190 /nfs/dbraw/zinc/50/81/90/391508190.db2.gz ZNGGOGVPYZDUND-ZDUSSCGKSA-N 1 0 262.353 1.578 20 70 CDIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)[C@H]1CCOC1 ZINC000160509403 391529682 /nfs/dbraw/zinc/52/96/82/391529682.db2.gz FNGLPUFAFNPWGG-XQQFMLRXSA-N 1 0 264.373 1.306 20 70 CDIDRO CC(C)CCC[C@@H](C)NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217516206 140164005 /nfs/dbraw/zinc/16/40/05/140164005.db2.gz HOODSVNOAXMGBP-ZIAGYGMSSA-N 1 0 269.433 1.741 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000161122712 285688588 /nfs/dbraw/zinc/68/85/88/285688588.db2.gz STIPKHGGAPRIFF-ZIAGYGMSSA-N 1 0 268.401 1.922 20 70 CDIDRO C[C@H](CNC(=O)C(C)(C)C[NH3+])Oc1ccccc1F ZINC000161160692 298682114 /nfs/dbraw/zinc/68/21/14/298682114.db2.gz YZFUOGSEXLSWHO-SNVBAGLBSA-N 1 0 268.332 1.694 20 70 CDIDRO CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000160057520 276823838 /nfs/dbraw/zinc/82/38/38/276823838.db2.gz KCZLUJFZCDEEAL-GFCCVEGCSA-N 1 0 291.351 1.023 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000159467730 278393806 /nfs/dbraw/zinc/39/38/06/278393806.db2.gz OJIOXEZIZLBFMV-OLZOCXBDSA-N 1 0 276.380 1.272 20 70 CDIDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1F)N(C)C1CC1 ZINC000218664406 280091103 /nfs/dbraw/zinc/09/11/03/280091103.db2.gz KKLHEFXCVWBWGN-GXTWGEPZSA-N 1 0 296.386 1.638 20 70 CDIDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000159623336 292763182 /nfs/dbraw/zinc/76/31/82/292763182.db2.gz PJVSJFPGPLPRAN-TZMCWYRMSA-N 1 0 268.401 1.792 20 70 CDIDRO COC(=O)N1CCC[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159721203 292767034 /nfs/dbraw/zinc/76/70/34/292767034.db2.gz ZJDZAHINTMXBCD-GFCCVEGCSA-N 1 0 297.399 1.243 20 70 CDIDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217490914 290240627 /nfs/dbraw/zinc/24/06/27/290240627.db2.gz KASWEFZDILCIGM-DGCLKSJQSA-N 1 0 282.409 1.574 20 70 CDIDRO O=C(N1C[C@@H]2CCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000159807267 482751639 /nfs/dbraw/zinc/75/16/39/482751639.db2.gz RFSKNKBUSUOXIK-UMNHJUIQSA-N 1 0 276.302 1.787 20 70 CDIDRO COc1cccc(OCCCNC(=O)CC2([NH3+])CCC2)c1 ZINC000160208137 482788251 /nfs/dbraw/zinc/78/82/51/482788251.db2.gz KIDRDNNLKHXNHY-UHFFFAOYSA-N 1 0 292.379 1.852 20 70 CDIDRO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161363415 482874488 /nfs/dbraw/zinc/87/44/88/482874488.db2.gz WZDRNTGKPIEUEZ-NEPJUHHUSA-N 1 0 265.357 1.610 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000161338862 482875142 /nfs/dbraw/zinc/87/51/42/482875142.db2.gz MRLDBXWLNIBVKY-MNOVXSKESA-N 1 0 268.307 1.893 20 70 CDIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067286 525637347 /nfs/dbraw/zinc/63/73/47/525637347.db2.gz YVGJIYXFIKDKMD-BNOWGMLFSA-N 1 0 250.390 1.944 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000161217061 342483451 /nfs/dbraw/zinc/48/34/51/342483451.db2.gz RKUGBHKDRFJNGQ-ZDUSSCGKSA-N 1 0 295.427 1.365 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000161113968 361874193 /nfs/dbraw/zinc/87/41/93/361874193.db2.gz JHYFEUCQQNLXOQ-HZSPNIEDSA-N 1 0 280.412 1.840 20 70 CDIDRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2)CCCC1 ZINC000160881437 362194406 /nfs/dbraw/zinc/19/44/06/362194406.db2.gz XTDHKPLXEFCPNQ-HNNXBMFYSA-N 1 0 292.423 1.890 20 70 CDIDRO Cc1ccc(C(=O)CC[N@H+](CCO)CCCO)cc1 ZINC000159609766 362350250 /nfs/dbraw/zinc/35/02/50/362350250.db2.gz NXJMMZQEVVDPME-UHFFFAOYSA-N 1 0 265.353 1.245 20 70 CDIDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000159993309 362385294 /nfs/dbraw/zinc/38/52/94/362385294.db2.gz SHMXDMGBFKHUCA-OLZOCXBDSA-N 1 0 290.363 1.750 20 70 CDIDRO Cc1ccccc1CN(C)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160072773 362392531 /nfs/dbraw/zinc/39/25/31/362392531.db2.gz CEZGKVVWEIZUEL-INIZCTEOSA-N 1 0 289.423 1.623 20 70 CDIDRO CO[C@@]1(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CCOC1 ZINC000160098029 362394218 /nfs/dbraw/zinc/39/42/18/362394218.db2.gz CYXMOSZFPKDHLW-SWLSCSKDSA-N 1 0 265.353 1.718 20 70 CDIDRO CNC(=O)CN1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC000160417074 362422666 /nfs/dbraw/zinc/42/26/66/362422666.db2.gz JJGINPSACOJRLN-UHFFFAOYSA-N 1 0 289.423 1.603 20 70 CDIDRO [NH3+][C@H]1C[C@@H](NCCNC(=O)C2CC2)c2ccccc21 ZINC000160703954 362475187 /nfs/dbraw/zinc/47/51/87/362475187.db2.gz AIIKSOLLALCJJI-UONOGXRCSA-N 1 0 259.353 1.247 20 70 CDIDRO CCC[C@@H](O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160930542 362555103 /nfs/dbraw/zinc/55/51/03/362555103.db2.gz HSXMEQCVLCXLKG-LSDHHAIUSA-N 1 0 299.459 1.957 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159665751 363171319 /nfs/dbraw/zinc/17/13/19/363171319.db2.gz KAITYWHOWRLNCZ-VXGBXAGGSA-N 1 0 273.446 1.769 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000159709580 363213853 /nfs/dbraw/zinc/21/38/53/363213853.db2.gz PCZJBDSBFNDELH-VXGBXAGGSA-N 1 0 283.416 1.726 20 70 CDIDRO C[C@]1(CNC(=O)c2ccc(C[NH3+])o2)CCCC[C@H]1O ZINC000160841699 482830736 /nfs/dbraw/zinc/83/07/36/482830736.db2.gz VAHUAZSNBHOYLE-TZMCWYRMSA-N 1 0 266.341 1.409 20 70 CDIDRO C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)C[NH+]1CCCCC1 ZINC000160705381 360822211 /nfs/dbraw/zinc/82/22/11/360822211.db2.gz FCZWDTHHDHGREE-GDBMZVCRSA-N 1 0 297.443 1.665 20 70 CDIDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[NH2+]CC1 ZINC000159403006 361687875 /nfs/dbraw/zinc/68/78/75/361687875.db2.gz LETIIQDITFKSAJ-AWEZNQCLSA-N 1 0 288.391 1.937 20 70 CDIDRO NC(=O)[C@@H]1CCCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000159422122 361694057 /nfs/dbraw/zinc/69/40/57/361694057.db2.gz WWHDLNSOHBYAJO-INIZCTEOSA-N 1 0 287.407 1.601 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCOCC(C)C)CC1 ZINC000159559385 361730653 /nfs/dbraw/zinc/73/06/53/361730653.db2.gz IGEIKAVCMJLCNG-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO CC[C@@H](C(=O)NCCOc1ncccc1Cl)[NH+](C)C ZINC000159390118 364197522 /nfs/dbraw/zinc/19/75/22/364197522.db2.gz AZFNENBYFBLDBY-NSHDSACASA-N 1 0 285.775 1.570 20 70 CDIDRO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159469389 364213468 /nfs/dbraw/zinc/21/34/68/364213468.db2.gz XALVPPOXISAAJG-NEPJUHHUSA-N 1 0 280.368 1.013 20 70 CDIDRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159657784 364247867 /nfs/dbraw/zinc/24/78/67/364247867.db2.gz QDHJIEDYNJGAKS-ZDUSSCGKSA-N 1 0 276.380 1.789 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccccn2)CC1 ZINC000159528961 364227788 /nfs/dbraw/zinc/22/77/88/364227788.db2.gz DVZGBDWXAWBYFZ-CYBMUJFWSA-N 1 0 276.384 1.880 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CSCC(=O)c2ccccc2)C1 ZINC000160214753 364319550 /nfs/dbraw/zinc/31/95/50/364319550.db2.gz QSQNQBNBKVVOHP-GFCCVEGCSA-N 1 0 278.377 1.162 20 70 CDIDRO Cc1noc(C)c1C[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000160218042 364319609 /nfs/dbraw/zinc/31/96/09/364319609.db2.gz WINTXVJTEREPLN-JTQLQIEISA-N 1 0 279.384 1.728 20 70 CDIDRO CC[C@@H](C(=O)NC[C@H](O)c1cccc(F)c1)[NH+](C)C ZINC000160331923 364336438 /nfs/dbraw/zinc/33/64/38/364336438.db2.gz OLPZTMULTHUEHH-STQMWFEESA-N 1 0 268.332 1.316 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCn2cccc2)CC1 ZINC000159959454 364285926 /nfs/dbraw/zinc/28/59/26/364285926.db2.gz NIYLASZEFFFJDD-UHFFFAOYSA-N 1 0 264.373 1.225 20 70 CDIDRO O=C(COc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160201473 364318002 /nfs/dbraw/zinc/31/80/02/364318002.db2.gz OPDAHQOUHPMCAK-CQSZACIVSA-N 1 0 292.379 1.028 20 70 CDIDRO Cc1ccc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000160605337 364381120 /nfs/dbraw/zinc/38/11/20/364381120.db2.gz SQAFRBMBSKZKMK-HSBSLETESA-N 1 0 292.379 1.564 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000160686351 364393785 /nfs/dbraw/zinc/39/37/85/364393785.db2.gz OPVGUGXNNPUTTR-CYZMBNFOSA-N 1 0 280.318 1.889 20 70 CDIDRO CC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000161020158 364438805 /nfs/dbraw/zinc/43/88/05/364438805.db2.gz QHGOOVUUMYWHJO-UHFFFAOYSA-N 1 0 290.363 1.952 20 70 CDIDRO FC(F)(F)c1ccc(NCC[NH+]2CCSCC2)nn1 ZINC000218015223 367259742 /nfs/dbraw/zinc/25/97/42/367259742.db2.gz MFXBWYHOBYZQPZ-UHFFFAOYSA-N 1 0 292.330 1.956 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC000160476034 377069516 /nfs/dbraw/zinc/06/95/16/377069516.db2.gz MEXDUQMEWVLFRT-AWEZNQCLSA-N 1 0 277.412 1.923 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(F)cc(F)c1 ZINC000160633848 377098825 /nfs/dbraw/zinc/09/88/25/377098825.db2.gz HGCORMLLVFNIIC-UHFFFAOYSA-N 1 0 298.333 1.399 20 70 CDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160654387 377100085 /nfs/dbraw/zinc/10/00/85/377100085.db2.gz FAWBCQUJASRVMO-JTQLQIEISA-N 1 0 286.397 1.016 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000160631151 377100142 /nfs/dbraw/zinc/10/01/42/377100142.db2.gz QWFATUPKPOPJSB-UHFFFAOYSA-N 1 0 298.333 1.399 20 70 CDIDRO CCC[N@H+](CCO)Cc1c(OC)cc(OC)cc1OC ZINC000161222439 390651078 /nfs/dbraw/zinc/65/10/78/390651078.db2.gz HNXUZIOFTDNLPN-UHFFFAOYSA-N 1 0 283.368 1.917 20 70 CDIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CC[C@H](C)O ZINC000159910295 390942304 /nfs/dbraw/zinc/94/23/04/390942304.db2.gz VJVIHYIJEIIEDN-GXTWGEPZSA-N 1 0 286.416 1.009 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)C(C)(C)C[NH3+] ZINC000161171449 390955233 /nfs/dbraw/zinc/95/52/33/390955233.db2.gz ZKZFESDINNABDU-LBPRGKRZSA-N 1 0 264.369 1.863 20 70 CDIDRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160126308 390977755 /nfs/dbraw/zinc/97/77/55/390977755.db2.gz HRDMMSCQVCCYQZ-CYBMUJFWSA-N 1 0 261.325 1.208 20 70 CDIDRO CCC[N@H+](CCO)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000217662238 392964807 /nfs/dbraw/zinc/96/48/07/392964807.db2.gz CTJFIPZSFVZFRI-LSDHHAIUSA-N 1 0 282.428 1.872 20 70 CDIDRO COC(=O)c1occc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130483 140164734 /nfs/dbraw/zinc/16/47/34/140164734.db2.gz XMMQKMDAZNBPMS-STQMWFEESA-N 1 0 278.352 1.783 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000160237698 147714114 /nfs/dbraw/zinc/71/41/14/147714114.db2.gz NTXUCYRREGCXCN-FOGDFJRCSA-N 1 0 266.291 1.628 20 70 CDIDRO Cc1nc(C)c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)o1 ZINC000159575176 274837332 /nfs/dbraw/zinc/83/73/32/274837332.db2.gz BGCDIHSIJJPUIJ-LBPRGKRZSA-N 1 0 271.320 1.822 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000160003228 276366796 /nfs/dbraw/zinc/36/67/96/276366796.db2.gz OFAQHUWDESKNRA-CYBMUJFWSA-N 1 0 291.399 1.004 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](CC(C)C)N(C)C)CC1 ZINC000161266493 278088715 /nfs/dbraw/zinc/08/87/15/278088715.db2.gz PRPYVQOBYWDGAX-GPANFISMSA-N 1 0 283.460 2.000 20 70 CDIDRO CCOCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160169743 292779196 /nfs/dbraw/zinc/77/91/96/292779196.db2.gz JFVUFURUFLTWQU-UHFFFAOYSA-N 1 0 285.432 1.786 20 70 CDIDRO O=C(/C=C/c1ccco1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160462319 295396282 /nfs/dbraw/zinc/39/62/82/295396282.db2.gz JKNPUROUPRNXAC-KTRBRXNASA-N 1 0 278.352 1.256 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000160467175 482803900 /nfs/dbraw/zinc/80/39/00/482803900.db2.gz DADAYAKUFFALBI-VIFPVBQESA-N 1 0 262.288 1.136 20 70 CDIDRO COC[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000161144021 482864489 /nfs/dbraw/zinc/86/44/89/482864489.db2.gz VSZRJYWMTMKOJR-GZMMTYOYSA-N 1 0 290.285 1.856 20 70 CDIDRO CCOc1ccccc1OCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161169762 482865517 /nfs/dbraw/zinc/86/55/17/482865517.db2.gz JSYMLEMUYLSLFY-CHWSQXEVSA-N 1 0 292.379 1.850 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000161437104 519646011 /nfs/dbraw/zinc/64/60/11/519646011.db2.gz UHZJJNLKWKXVEA-GRTSSRMGSA-N 1 0 295.427 1.424 20 70 CDIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000159672725 526741162 /nfs/dbraw/zinc/74/11/62/526741162.db2.gz WGOYOFSNIUVJKG-XQQFMLRXSA-N 1 0 268.401 1.553 20 70 CDIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COCc1ccco1 ZINC000161145716 528875676 /nfs/dbraw/zinc/87/56/76/528875676.db2.gz XEXYJPOUTRWKHV-AWEZNQCLSA-N 1 0 293.367 1.413 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1csc(COC)n1 ZINC000160553010 528947140 /nfs/dbraw/zinc/94/71/40/528947140.db2.gz IUMKPEFADWBDIB-UHFFFAOYSA-N 1 0 271.386 1.537 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159728060 361814433 /nfs/dbraw/zinc/81/44/33/361814433.db2.gz YGDRHJLVVYCDIW-JSGCOSHPSA-N 1 0 278.421 1.913 20 70 CDIDRO COc1cc(OC)nc(NCCCCn2ccnc2)n1 ZINC000159783007 342072849 /nfs/dbraw/zinc/07/28/49/342072849.db2.gz HDVBJGINOGQYPH-UHFFFAOYSA-N 1 0 277.328 1.583 20 70 CDIDRO C[C@H](O)C[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000159807780 361870728 /nfs/dbraw/zinc/87/07/28/361870728.db2.gz QVDFSAQYHZBMTA-LBPRGKRZSA-N 1 0 254.349 1.570 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)COCC2CC2)CC1 ZINC000161139114 361885127 /nfs/dbraw/zinc/88/51/27/361885127.db2.gz DERIWIBWGYSVAU-UHFFFAOYSA-N 1 0 254.374 1.261 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000161155528 361900439 /nfs/dbraw/zinc/90/04/39/361900439.db2.gz BJCNLJHXNXBYPT-UONOGXRCSA-N 1 0 276.380 1.973 20 70 CDIDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000159948911 362381477 /nfs/dbraw/zinc/38/14/77/362381477.db2.gz BRFFCXRPXYASTJ-ZDUSSCGKSA-N 1 0 298.408 1.361 20 70 CDIDRO CC1CCC(N(C)C(=O)CN(C)[C@H](C[NH3+])C2CC2)CC1 ZINC000160138629 362396410 /nfs/dbraw/zinc/39/64/10/362396410.db2.gz VLRFVLTWCWPFEO-PESDSKBTSA-N 1 0 281.444 1.693 20 70 CDIDRO CO[C@]1(C[NH2+]CCc2ccc3c(c2)CCO3)CCOC1 ZINC000160337884 362414694 /nfs/dbraw/zinc/41/46/94/362414694.db2.gz HKDBNAXGTKHIQQ-INIZCTEOSA-N 1 0 277.364 1.559 20 70 CDIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000161118767 362674939 /nfs/dbraw/zinc/67/49/39/362674939.db2.gz YEUFYMCCWKINAE-AAEUAGOBSA-N 1 0 263.337 1.972 20 70 CDIDRO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159623061 363071904 /nfs/dbraw/zinc/07/19/04/363071904.db2.gz MDGIWGCWHAUCOX-ILXRZTDVSA-N 1 0 282.428 1.870 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(C2CC2)CC1 ZINC000159719004 363214740 /nfs/dbraw/zinc/21/47/40/363214740.db2.gz AEFXFYTYYZAYLK-GFCCVEGCSA-N 1 0 251.374 1.570 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cnn1C(C)(C)C ZINC000160136523 188456637 /nfs/dbraw/zinc/45/66/37/188456637.db2.gz PPHYCZPDQNWFQV-LLVKDONJSA-N 1 0 264.373 1.510 20 70 CDIDRO CC(C)([NH3+])CNC(=O)C(C)(C)c1ccccc1F ZINC000160024502 188452170 /nfs/dbraw/zinc/45/21/70/188452170.db2.gz ITVSVPVZQZNHQC-UHFFFAOYSA-N 1 0 252.333 1.957 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000160971506 188500887 /nfs/dbraw/zinc/50/08/87/188500887.db2.gz VQBCGSUSSKNYGN-NSPYISDASA-N 1 0 282.409 1.599 20 70 CDIDRO CCOC(=O)c1nc(CN(C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159748328 363272467 /nfs/dbraw/zinc/27/24/67/363272467.db2.gz CARDVHVSUXZCOU-PWSUYJOCSA-N 1 0 298.408 1.913 20 70 CDIDRO C[C@H]1C[C@@H](NC(=O)N(C)CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000159855982 363381182 /nfs/dbraw/zinc/38/11/82/363381182.db2.gz NMFUNRDMWJLECS-GXTWGEPZSA-N 1 0 295.427 1.680 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCOC2CCOCC2)C1 ZINC000160940817 356685545 /nfs/dbraw/zinc/68/55/45/356685545.db2.gz JOAANSMIIUWXOG-CHWSQXEVSA-N 1 0 284.400 1.206 20 70 CDIDRO O=C(c1ccccc1OC[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000159442533 359299846 /nfs/dbraw/zinc/29/98/46/359299846.db2.gz NXTQRSNXORLGJK-ZDUSSCGKSA-N 1 0 290.363 1.290 20 70 CDIDRO Cc1cccc([C@@H](C)CNC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000160734101 237184720 /nfs/dbraw/zinc/18/47/20/237184720.db2.gz PGGSTILTUCVSLI-GOEBONIOSA-N 1 0 290.407 1.983 20 70 CDIDRO Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]1 ZINC000159906219 237158560 /nfs/dbraw/zinc/15/85/60/237158560.db2.gz ULFLYWVYRHYKFE-CYBMUJFWSA-N 1 0 279.384 1.208 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971413 360462060 /nfs/dbraw/zinc/46/20/60/360462060.db2.gz JGXWHRFIYUTEJO-ZWNOBZJWSA-N 1 0 264.369 1.481 20 70 CDIDRO CC[N@H+](CCNCc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000217435653 360719082 /nfs/dbraw/zinc/71/90/82/360719082.db2.gz JARVLTXRFBJYBQ-UHFFFAOYSA-N 1 0 289.379 1.591 20 70 CDIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCCOC ZINC000160534673 363978152 /nfs/dbraw/zinc/97/81/52/363978152.db2.gz IYBRGMFSQAHILI-OLZOCXBDSA-N 1 0 258.406 1.896 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000159394517 364197989 /nfs/dbraw/zinc/19/79/89/364197989.db2.gz WGFXLXSTSRLUSP-IUCAKERBSA-N 1 0 272.295 1.604 20 70 CDIDRO [NH3+]CCCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159400156 364200099 /nfs/dbraw/zinc/20/00/99/364200099.db2.gz GNUVZZWMAMJBAA-NSHDSACASA-N 1 0 295.770 1.300 20 70 CDIDRO O=C(c1csc(-c2ccc(F)cc2)n1)N1CC[NH2+]CC1 ZINC000159366902 364191434 /nfs/dbraw/zinc/19/14/34/364191434.db2.gz VYPNNRHDZNIQRE-UHFFFAOYSA-N 1 0 291.351 1.995 20 70 CDIDRO C[NH+](C)C1(CNC(=O)CCCn2cccc2)CCOCC1 ZINC000159546170 364231781 /nfs/dbraw/zinc/23/17/81/364231781.db2.gz MNMSTHCYWQYYCO-UHFFFAOYSA-N 1 0 293.411 1.495 20 70 CDIDRO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159658179 364248339 /nfs/dbraw/zinc/24/83/39/364248339.db2.gz SLAFYUUDWZSXJH-RYUDHWBXSA-N 1 0 280.372 1.058 20 70 CDIDRO CNC(=O)NC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159821375 364270150 /nfs/dbraw/zinc/27/01/50/364270150.db2.gz LIYWEWSSZOKCJG-UHFFFAOYSA-N 1 0 292.383 1.030 20 70 CDIDRO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000160236651 364323322 /nfs/dbraw/zinc/32/33/22/364323322.db2.gz BTDGQZKRJHMFBQ-ZWNOBZJWSA-N 1 0 250.317 1.879 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023389 364296069 /nfs/dbraw/zinc/29/60/69/364296069.db2.gz ICHYMBMVBVCHGZ-ZDUSSCGKSA-N 1 0 263.341 1.115 20 70 CDIDRO COc1cc(/C=C/C(=O)NCC(C)(C)[NH3+])cc(OC)c1 ZINC000160058423 364300367 /nfs/dbraw/zinc/30/03/67/364300367.db2.gz JPKMKTJUVHMDDE-AATRIKPKSA-N 1 0 278.352 1.571 20 70 CDIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160641514 364388187 /nfs/dbraw/zinc/38/81/87/364388187.db2.gz OKFXYOSKCXODBI-NSHDSACASA-N 1 0 280.368 1.773 20 70 CDIDRO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Oc1ccccc1F ZINC000161160344 364456683 /nfs/dbraw/zinc/45/66/83/364456683.db2.gz CLSUXTLHBYARBU-NHYWBVRUSA-N 1 0 280.343 1.709 20 70 CDIDRO CN1CCc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2C1=O ZINC000160795194 364410280 /nfs/dbraw/zinc/41/02/80/364410280.db2.gz WQPPHSJAPKJYJD-INIZCTEOSA-N 1 0 287.363 1.253 20 70 CDIDRO CC(C)[NH+](CCSCc1nc(N)nc(N)n1)C(C)C ZINC000160925866 364428578 /nfs/dbraw/zinc/42/85/78/364428578.db2.gz WKGKVYKYSCMWJX-UHFFFAOYSA-N 1 0 284.433 1.388 20 70 CDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3nncn3c2)C1 ZINC000161284645 364475106 /nfs/dbraw/zinc/47/51/06/364475106.db2.gz ZKTCLLZIPKBTMX-YPMHNXCESA-N 1 0 287.367 1.188 20 70 CDIDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1F ZINC000161484837 364501915 /nfs/dbraw/zinc/50/19/15/364501915.db2.gz CBUPHVJIFDTCTD-NSHDSACASA-N 1 0 250.317 1.816 20 70 CDIDRO Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)c1 ZINC000160207421 377040766 /nfs/dbraw/zinc/04/07/66/377040766.db2.gz IAIYNQUKOZNLRS-HNNXBMFYSA-N 1 0 284.363 1.744 20 70 CDIDRO CC[C@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263610 377531663 /nfs/dbraw/zinc/53/16/63/377531663.db2.gz ZVGNILIVQRDXDI-UWVGGRQHSA-N 1 0 255.280 1.393 20 70 CDIDRO COC(=O)CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161361380 377601754 /nfs/dbraw/zinc/60/17/54/377601754.db2.gz VZGYEHTXHVYJQJ-JTQLQIEISA-N 1 0 269.263 1.185 20 70 CDIDRO CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160873749 391573436 /nfs/dbraw/zinc/57/34/36/391573436.db2.gz QNAVYSYOOJJSEY-GZBFAFLISA-N 1 0 297.443 1.710 20 70 CDIDRO COc1ccc(CC(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000217173642 392957183 /nfs/dbraw/zinc/95/71/83/392957183.db2.gz YUFKVYVSMPBYHZ-JTQLQIEISA-N 1 0 266.316 1.197 20 70 CDIDRO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(Cl)cc1 ZINC000217315277 260112094 /nfs/dbraw/zinc/11/20/94/260112094.db2.gz PJIXDLUQKLZCDV-UHFFFAOYSA-N 1 0 296.802 1.044 20 70 CDIDRO CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000161314301 276223286 /nfs/dbraw/zinc/22/32/86/276223286.db2.gz VURZJUXMMUFTIA-KBPBESRZSA-N 1 0 295.427 1.236 20 70 CDIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160521893 276318531 /nfs/dbraw/zinc/31/85/31/276318531.db2.gz BBSJFQIJDBMPTK-AAEUAGOBSA-N 1 0 293.415 1.138 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000161103470 277280866 /nfs/dbraw/zinc/28/08/66/277280866.db2.gz NEUVGXDWRSPFLX-VHSXEESVSA-N 1 0 266.316 1.795 20 70 CDIDRO CCOC(=O)NCCCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000161490655 292807287 /nfs/dbraw/zinc/80/72/87/292807287.db2.gz GFVYYPCHMHSXOA-CHWSQXEVSA-N 1 0 299.415 1.502 20 70 CDIDRO COc1cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159921136 482761925 /nfs/dbraw/zinc/76/19/25/482761925.db2.gz KZOFSXQTHZFCBU-ZDUSSCGKSA-N 1 0 284.381 1.053 20 70 CDIDRO CCCn1nccc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000160009747 482775346 /nfs/dbraw/zinc/77/53/46/482775346.db2.gz HIBGIBMQWRIMBM-CYBMUJFWSA-N 1 0 266.389 1.103 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC000160884829 482836583 /nfs/dbraw/zinc/83/65/83/482836583.db2.gz CGVSTFRKHRBJJC-NXEZZACHSA-N 1 0 268.307 1.893 20 70 CDIDRO CN(C)C(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161283493 482872732 /nfs/dbraw/zinc/87/27/32/482872732.db2.gz LRNHNPSQKKBKAY-KBPBESRZSA-N 1 0 289.379 1.388 20 70 CDIDRO CO[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161338094 482875184 /nfs/dbraw/zinc/87/51/84/482875184.db2.gz PKOWMKRHTDCSAY-IHRRRGAJSA-N 1 0 262.353 1.760 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](CC(C)C)N(C)C)CC1 ZINC000161266565 519645446 /nfs/dbraw/zinc/64/54/46/519645446.db2.gz PRPYVQOBYWDGAX-UYSNPLJNSA-N 1 0 283.460 2.000 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160351636 519645500 /nfs/dbraw/zinc/64/55/00/519645500.db2.gz WEXQRJGMJHSIDP-LSDHHAIUSA-N 1 0 297.443 1.926 20 70 CDIDRO CN1CCc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2C1=O ZINC000160797779 524000205 /nfs/dbraw/zinc/00/02/05/524000205.db2.gz FCJAENOFQOKACI-GFCCVEGCSA-N 1 0 287.363 1.395 20 70 CDIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067375 525613007 /nfs/dbraw/zinc/61/30/07/525613007.db2.gz YVGJIYXFIKDKMD-UBHSHLNASA-N 1 0 250.390 1.944 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CCCO ZINC000159578119 527969686 /nfs/dbraw/zinc/96/96/86/527969686.db2.gz IGXGLONGHCOEMF-GJZGRUSLSA-N 1 0 299.459 1.957 20 70 CDIDRO COC(=O)c1ccc(NC(=O)CCC[NH3+])cc1Cl ZINC000161062811 361827035 /nfs/dbraw/zinc/82/70/35/361827035.db2.gz PBIJGXNVFASGLC-UHFFFAOYSA-N 1 0 270.716 1.804 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161191728 361911657 /nfs/dbraw/zinc/91/16/57/361911657.db2.gz MFDZUGZHJFVLNV-QMMMGPOBSA-N 1 0 296.318 1.464 20 70 CDIDRO CCC[C@@H]1C[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159933613 361952863 /nfs/dbraw/zinc/95/28/63/361952863.db2.gz SIBJUBWNOAJQNY-CHWSQXEVSA-N 1 0 253.390 1.912 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000159931017 362380296 /nfs/dbraw/zinc/38/02/96/362380296.db2.gz KWOAXJKBHXEPJU-GFCCVEGCSA-N 1 0 290.335 1.323 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000159994050 362385552 /nfs/dbraw/zinc/38/55/52/362385552.db2.gz JEKSGBJQUQPZCL-GFCCVEGCSA-N 1 0 278.352 1.608 20 70 CDIDRO CC[C@@](C)(O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160919524 362547636 /nfs/dbraw/zinc/54/76/36/362547636.db2.gz ZAAJLZBCVSHDQI-GOEBONIOSA-N 1 0 299.459 1.957 20 70 CDIDRO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907161 362562077 /nfs/dbraw/zinc/56/20/77/362562077.db2.gz BINCEBUILQEVMR-FZMZJTMJSA-N 1 0 285.351 1.149 20 70 CDIDRO Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)C)c[nH]c1=O ZINC000159644739 363114776 /nfs/dbraw/zinc/11/47/76/363114776.db2.gz DMMZXDZCZYVJQO-AWEZNQCLSA-N 1 0 285.347 1.925 20 70 CDIDRO Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000159842304 188443652 /nfs/dbraw/zinc/44/36/52/188443652.db2.gz ZHBOOYKBULZAGF-IRXDYDNUSA-N 1 0 298.386 1.715 20 70 CDIDRO Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159843499 188444190 /nfs/dbraw/zinc/44/41/90/188444190.db2.gz IXMVTVIMDNGKTC-OCCSQVGLSA-N 1 0 262.353 1.144 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000160197568 188459455 /nfs/dbraw/zinc/45/94/55/188459455.db2.gz GAKFRUSJCISMKX-QWHCGFSZSA-N 1 0 292.379 1.708 20 70 CDIDRO CC1(O)CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000161207400 188514421 /nfs/dbraw/zinc/51/44/21/188514421.db2.gz IVCMLTNOLKZGRV-UHFFFAOYSA-N 1 0 295.358 1.583 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000161103370 293749628 /nfs/dbraw/zinc/74/96/28/293749628.db2.gz RYKOOGWRHMARPH-CHWSQXEVSA-N 1 0 266.316 1.404 20 70 CDIDRO NC(=O)CC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160328156 357611007 /nfs/dbraw/zinc/61/10/07/357611007.db2.gz GQVYSOFWROZGHC-GFCCVEGCSA-N 1 0 254.374 1.391 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000159724028 359514140 /nfs/dbraw/zinc/51/41/40/359514140.db2.gz SXHVTSNSHRIBQB-CQSZACIVSA-N 1 0 264.369 1.742 20 70 CDIDRO Cc1cccc([C@H](C)CNC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000160734219 237186514 /nfs/dbraw/zinc/18/65/14/237186514.db2.gz PGGSTILTUCVSLI-GDBMZVCRSA-N 1 0 290.407 1.983 20 70 CDIDRO C[NH+]1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160245571 360998880 /nfs/dbraw/zinc/99/88/80/360998880.db2.gz ULJMAPMKEDGCEE-LBPRGKRZSA-N 1 0 295.408 1.819 20 70 CDIDRO COC1(C(=O)N2CCCC(C)(C)CC2)CC[NH2+]CC1 ZINC000161045177 361668837 /nfs/dbraw/zinc/66/88/37/361668837.db2.gz ODZOVHZWHDNQJM-UHFFFAOYSA-N 1 0 268.401 1.794 20 70 CDIDRO O=C(NCCCc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000159452966 361702520 /nfs/dbraw/zinc/70/25/20/361702520.db2.gz SHNHLTCZWKEMJJ-CYBMUJFWSA-N 1 0 264.344 1.874 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000159472300 361709358 /nfs/dbraw/zinc/70/93/58/361709358.db2.gz CJBHXYIDYLGSMM-STQMWFEESA-N 1 0 256.390 1.777 20 70 CDIDRO CC1(C)[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]2CCO[C@@H]21 ZINC000161107034 363849113 /nfs/dbraw/zinc/84/91/13/363849113.db2.gz YCGCHJDKRMBYPP-MCIONIFRSA-N 1 0 274.364 1.689 20 70 CDIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 ZINC000160599514 364078802 /nfs/dbraw/zinc/07/88/02/364078802.db2.gz JXPJDXRCKCJNPC-BDAKNGLRSA-N 1 0 268.279 1.070 20 70 CDIDRO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c(C)c1 ZINC000159504216 364221909 /nfs/dbraw/zinc/22/19/09/364221909.db2.gz OJJUTKDPXFZNBR-OLZOCXBDSA-N 1 0 264.369 1.943 20 70 CDIDRO CC[C@@H](C(=O)NCCOc1ccc(Cl)cn1)[NH+](C)C ZINC000159394492 364198410 /nfs/dbraw/zinc/19/84/10/364198410.db2.gz KQOTVQHQBPHZCH-NSHDSACASA-N 1 0 285.775 1.570 20 70 CDIDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159692954 364252149 /nfs/dbraw/zinc/25/21/49/364252149.db2.gz BPIUTWXOKSAQLY-JGVFFNPUSA-N 1 0 276.262 1.511 20 70 CDIDRO [NH3+]CCC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508284 364224293 /nfs/dbraw/zinc/22/42/93/364224293.db2.gz YMEUSJOMCCALKF-HNNXBMFYSA-N 1 0 296.798 1.961 20 70 CDIDRO Cc1cc(F)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160283119 364329007 /nfs/dbraw/zinc/32/90/07/364329007.db2.gz UBOAHHWUXWNEIY-CQSZACIVSA-N 1 0 294.370 1.711 20 70 CDIDRO Cc1ccc(-c2n[nH]cc2CN2CCNC(=O)C2)cc1 ZINC000160484846 364360520 /nfs/dbraw/zinc/36/05/20/364360520.db2.gz YJHJWEWWHHUHDW-UHFFFAOYSA-N 1 0 270.336 1.317 20 70 CDIDRO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C[NH+](C)C ZINC000160509638 364365102 /nfs/dbraw/zinc/36/51/02/364365102.db2.gz TYWJPMFIXKBUFJ-UHFFFAOYSA-N 1 0 272.352 1.597 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160645078 364388382 /nfs/dbraw/zinc/38/83/82/364388382.db2.gz VJTZEQJRIQDGKC-VIFPVBQESA-N 1 0 285.413 1.669 20 70 CDIDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000160653452 364391164 /nfs/dbraw/zinc/39/11/64/364391164.db2.gz ZKFAGTRTYIVIHH-LLVKDONJSA-N 1 0 280.368 1.773 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ncc(C(C)=O)s1 ZINC000161087727 364446862 /nfs/dbraw/zinc/44/68/62/364446862.db2.gz JRIAEANLJKXEKR-SSDOTTSWSA-N 1 0 273.383 1.365 20 70 CDIDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)NC(C)C)c(C)n1 ZINC000160936304 364430086 /nfs/dbraw/zinc/43/00/86/364430086.db2.gz POYMWHWDTYWWED-SECBINFHSA-N 1 0 250.346 1.269 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccc(F)cc1 ZINC000161214209 367632850 /nfs/dbraw/zinc/63/28/50/367632850.db2.gz IXSNEHBKXCIOSD-ZDUSSCGKSA-N 1 0 280.343 1.805 20 70 CDIDRO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C(C)C ZINC000217727634 373720446 /nfs/dbraw/zinc/72/04/46/373720446.db2.gz UDACRRPIFOAVQG-DZKIICNBSA-N 1 0 280.412 1.981 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000160531544 377084201 /nfs/dbraw/zinc/08/42/01/377084201.db2.gz HXQLGSCTFGMAGG-ZDUSSCGKSA-N 1 0 295.427 1.269 20 70 CDIDRO CCC(C)(C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160566456 377087724 /nfs/dbraw/zinc/08/77/24/377087724.db2.gz XYGSOSZDJLTBRJ-UHFFFAOYSA-N 1 0 256.390 1.243 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000161246413 391586638 /nfs/dbraw/zinc/58/66/38/391586638.db2.gz QEXWHTIOVPKOKD-SNVBAGLBSA-N 1 0 263.341 1.377 20 70 CDIDRO COc1ccc(/C=C\C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000217469280 280088893 /nfs/dbraw/zinc/08/88/93/280088893.db2.gz YGLMQZTUJYAPPV-DAXSKMNVSA-N 1 0 274.364 1.824 20 70 CDIDRO CCCn1c(C)nnc1CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000159975455 292774996 /nfs/dbraw/zinc/77/49/96/292774996.db2.gz RUUFQGJGURXOAY-CQSZACIVSA-N 1 0 279.432 1.913 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1occc1Br ZINC000160293106 295270171 /nfs/dbraw/zinc/27/01/71/295270171.db2.gz AEEZQSUBUDTYQX-SSDOTTSWSA-N 1 0 273.130 1.605 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161336714 482474123 /nfs/dbraw/zinc/47/41/23/482474123.db2.gz PJYAURLHOCVJAF-WDEREUQCSA-N 1 0 258.325 1.563 20 70 CDIDRO COc1cccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159921277 482762002 /nfs/dbraw/zinc/76/20/02/482762002.db2.gz KZOFSXQTHZFCBU-CYBMUJFWSA-N 1 0 284.381 1.053 20 70 CDIDRO CCCn1nccc1C[NH2+]Cc1ccnc(OC)c1 ZINC000160142442 482785882 /nfs/dbraw/zinc/78/58/82/482785882.db2.gz UJIJRCFTGALAPE-UHFFFAOYSA-N 1 0 260.341 1.987 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1N ZINC000160723122 482820375 /nfs/dbraw/zinc/82/03/75/482820375.db2.gz LKDPJCCVGURGFI-GFCCVEGCSA-N 1 0 261.369 1.791 20 70 CDIDRO CC(=O)c1cccc(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160946744 482844330 /nfs/dbraw/zinc/84/43/30/482844330.db2.gz CPCXMEJQWMRBBX-KBPBESRZSA-N 1 0 290.363 1.654 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000160989762 482849942 /nfs/dbraw/zinc/84/99/42/482849942.db2.gz MOOQOVKHOFBDCU-MROQNXINSA-N 1 0 266.385 1.578 20 70 CDIDRO CCCc1noc(CCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000161082491 482858382 /nfs/dbraw/zinc/85/83/82/482858382.db2.gz MYRUIXBATYREGB-NEPJUHHUSA-N 1 0 294.399 1.731 20 70 CDIDRO C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161128237 482862867 /nfs/dbraw/zinc/86/28/67/482862867.db2.gz UKEDGATXFSESAT-DCAQKATOSA-N 1 0 295.408 1.253 20 70 CDIDRO Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000161216676 482870988 /nfs/dbraw/zinc/87/09/88/482870988.db2.gz NIBBFFNQKZDIHO-VXGBXAGGSA-N 1 0 287.367 1.276 20 70 CDIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccoc1 ZINC000160743729 525635959 /nfs/dbraw/zinc/63/59/59/525635959.db2.gz CODARWZQLVPQMI-DGCLKSJQSA-N 1 0 288.351 1.859 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCSC2(CCCCC2)C1 ZINC000161451547 527129494 /nfs/dbraw/zinc/12/94/94/527129494.db2.gz UUOABWHGUWLILH-CYBMUJFWSA-N 1 0 298.452 1.643 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000159555551 527811618 /nfs/dbraw/zinc/81/16/18/527811618.db2.gz OPNUJJYQRFLDDJ-MGPQQGTHSA-N 1 0 296.411 1.219 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1 ZINC000160436307 528925777 /nfs/dbraw/zinc/92/57/77/528925777.db2.gz IBBRXISVKKVYPV-UHFFFAOYSA-N 1 0 263.341 1.259 20 70 CDIDRO COCCCOC1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000161240351 342483453 /nfs/dbraw/zinc/48/34/53/342483453.db2.gz IBDIGFWQIOVBNA-UHFFFAOYSA-N 1 0 286.416 1.419 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)CC1 ZINC000159924288 361946491 /nfs/dbraw/zinc/94/64/91/361946491.db2.gz KZSOVEWAODQPHN-CYBMUJFWSA-N 1 0 299.415 1.311 20 70 CDIDRO CN(Cc1cccn1C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000161108264 539117274 /nfs/dbraw/zinc/11/72/74/539117274.db2.gz KLZCHSFHESBHHU-CQSZACIVSA-N 1 0 290.411 1.651 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245223 362183587 /nfs/dbraw/zinc/18/35/87/362183587.db2.gz HWCLCLXFSSFXBM-HOSYDEDBSA-N 1 0 250.317 1.877 20 70 CDIDRO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866476 362376464 /nfs/dbraw/zinc/37/64/64/362376464.db2.gz DPHSJEGIPOXNEK-IUCAKERBSA-N 1 0 281.322 1.113 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)Nc1cnccc1OC ZINC000161279037 362390402 /nfs/dbraw/zinc/39/04/02/362390402.db2.gz KUVCRCABIBBIEQ-UHFFFAOYSA-N 1 0 251.330 1.794 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NCc1cn2ccccc2n1 ZINC000216755645 344826593 /nfs/dbraw/zinc/82/65/93/344826593.db2.gz GFYMIKIQJWJFBS-LBPRGKRZSA-N 1 0 260.341 1.324 20 70 CDIDRO COc1ccccc1[C@@H](N)C(=O)NCC(C)(C)C[C@H](C)O ZINC000160948526 362566399 /nfs/dbraw/zinc/56/63/99/362566399.db2.gz GYGGJQWYZUCJJI-SMDDNHRTSA-N 1 0 294.395 1.608 20 70 CDIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)CCO ZINC000160440812 346137359 /nfs/dbraw/zinc/13/73/59/346137359.db2.gz GUOMNSCZIPUMQR-QWHCGFSZSA-N 1 0 271.405 1.321 20 70 CDIDRO CN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160653857 346188519 /nfs/dbraw/zinc/18/85/19/346188519.db2.gz ZNAVCXYEHWDSEF-OAHLLOKOSA-N 1 0 288.395 1.707 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000160104521 188455893 /nfs/dbraw/zinc/45/58/93/188455893.db2.gz KZBFTSVLMUTKCG-JTQLQIEISA-N 1 0 295.408 1.206 20 70 CDIDRO CC(C)(O)CC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000159753276 363275503 /nfs/dbraw/zinc/27/55/03/363275503.db2.gz RAJOEXZSLRKEDI-GFCCVEGCSA-N 1 0 256.390 1.561 20 70 CDIDRO CCOC(=O)c1nc(CN(C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159748188 363272641 /nfs/dbraw/zinc/27/26/41/363272641.db2.gz CARDVHVSUXZCOU-JQWIXIFHSA-N 1 0 298.408 1.913 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159808412 363329561 /nfs/dbraw/zinc/32/95/61/363329561.db2.gz JLEPRCIHMJGSPG-GHMZBOCLSA-N 1 0 259.419 1.379 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000159790759 237160551 /nfs/dbraw/zinc/16/05/51/237160551.db2.gz QJGUGLAMFUKQNK-HNNXBMFYSA-N 1 0 284.400 1.030 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160135773 283472622 /nfs/dbraw/zinc/47/26/22/283472622.db2.gz LVNQWUBPCPZPJU-YPMHNXCESA-N 1 0 294.782 1.841 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160144488 363683935 /nfs/dbraw/zinc/68/39/35/363683935.db2.gz WNPANXPXAFYCRI-UONOGXRCSA-N 1 0 289.379 1.282 20 70 CDIDRO C[NH+]1CCC(Oc2ccc(NCc3cc[nH]n3)cn2)CC1 ZINC000160148703 363684610 /nfs/dbraw/zinc/68/46/10/363684610.db2.gz RARAGAOVFHLQPR-UHFFFAOYSA-N 1 0 287.367 1.890 20 70 CDIDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c1 ZINC000160236474 361070700 /nfs/dbraw/zinc/07/07/00/361070700.db2.gz BPDORDSDXPECGX-CYBMUJFWSA-N 1 0 262.353 1.504 20 70 CDIDRO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1C[NH2+]CCO1 ZINC000159479934 361710797 /nfs/dbraw/zinc/71/07/97/361710797.db2.gz ZJUMIRPSYVERKH-CYBMUJFWSA-N 1 0 292.383 1.774 20 70 CDIDRO C[N@@H+](CC(=O)Nc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159460975 364210538 /nfs/dbraw/zinc/21/05/38/364210538.db2.gz GLGVJNFGZOFWAO-OCCSQVGLSA-N 1 0 262.353 1.718 20 70 CDIDRO C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1cccnc1 ZINC000159459123 364210884 /nfs/dbraw/zinc/21/08/84/364210884.db2.gz WTSAHZKFTAMIIC-TZMCWYRMSA-N 1 0 277.368 1.197 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159658092 364248181 /nfs/dbraw/zinc/24/81/81/364248181.db2.gz QDHJIEDYNJGAKS-CYBMUJFWSA-N 1 0 276.380 1.789 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159690373 364252133 /nfs/dbraw/zinc/25/21/33/364252133.db2.gz YTOCJTPRZXKGAQ-VIFPVBQESA-N 1 0 278.278 1.757 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(C)no2)CC1 ZINC000159780997 364264216 /nfs/dbraw/zinc/26/42/16/364264216.db2.gz DAIIGAHLEXFSCE-UHFFFAOYSA-N 1 0 266.345 1.220 20 70 CDIDRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161510879 364505991 /nfs/dbraw/zinc/50/59/91/364505991.db2.gz GTUXJOOXYNRBHW-XNRPHZJLSA-N 1 0 276.380 1.614 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161132041 367245210 /nfs/dbraw/zinc/24/52/10/367245210.db2.gz JHOGTYJYBZYPAD-STQMWFEESA-N 1 0 292.379 1.721 20 70 CDIDRO O=C(N[C@H]1CCOC1)N1CC[NH+](C2CCCC2)CC1 ZINC000159446829 284205617 /nfs/dbraw/zinc/20/56/17/284205617.db2.gz GDHUQNBQIUJMIZ-LBPRGKRZSA-N 1 0 267.373 1.045 20 70 CDIDRO Cc1cnn(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000160290533 377043813 /nfs/dbraw/zinc/04/38/13/377043813.db2.gz SNQVEOHJETVDEX-CQSZACIVSA-N 1 0 293.415 1.173 20 70 CDIDRO CC(C)N(C(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CCC1 ZINC000160560289 377086869 /nfs/dbraw/zinc/08/68/69/377086869.db2.gz QNAVQSAGRKGLIW-UHFFFAOYSA-N 1 0 291.399 1.606 20 70 CDIDRO CC(C)CCNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161126514 377158929 /nfs/dbraw/zinc/15/89/29/377158929.db2.gz CVAQIIKRHMTNGQ-UHFFFAOYSA-N 1 0 271.405 1.131 20 70 CDIDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159612870 390940406 /nfs/dbraw/zinc/94/04/06/390940406.db2.gz VPLSNXKYRGOUHI-CYBMUJFWSA-N 1 0 268.401 1.935 20 70 CDIDRO CC[C@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161188147 390956251 /nfs/dbraw/zinc/95/62/51/390956251.db2.gz TUWDOZQMQAMURI-ZDUSSCGKSA-N 1 0 253.390 1.073 20 70 CDIDRO CCOc1ccccc1OCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160221493 391048395 /nfs/dbraw/zinc/04/83/95/391048395.db2.gz DFDCZOZNKDNVRM-LLVKDONJSA-N 1 0 264.325 1.024 20 70 CDIDRO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889219 392492926 /nfs/dbraw/zinc/49/29/26/392492926.db2.gz KCWHHGNGVUUHQD-UWVGGRQHSA-N 1 0 283.338 1.359 20 70 CDIDRO C[C@@H]([NH3+])CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC000216949771 413367248 /nfs/dbraw/zinc/36/72/48/413367248.db2.gz BYONQDBOPJGKIW-UIBFTYAWSA-N 1 0 250.386 1.912 20 70 CDIDRO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000216650917 287386443 /nfs/dbraw/zinc/38/64/43/287386443.db2.gz LTOKVHWJWJIMRU-MCIONIFRSA-N 1 0 267.417 1.447 20 70 CDIDRO CC[C@H](C(=O)NCC1([NH3+])CCCCC1)N1CCCC1=O ZINC000159547398 287488688 /nfs/dbraw/zinc/48/86/88/287488688.db2.gz ATMKNNJDARNGES-GFCCVEGCSA-N 1 0 281.400 1.165 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000159472746 276019188 /nfs/dbraw/zinc/01/91/88/276019188.db2.gz MUCPHKAMFJXXJD-OLZOCXBDSA-N 1 0 288.457 1.875 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000160478123 277300944 /nfs/dbraw/zinc/30/09/44/277300944.db2.gz VSAXSVIDQAWKCC-AAEUAGOBSA-N 1 0 294.782 1.711 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000161473986 278088760 /nfs/dbraw/zinc/08/87/60/278088760.db2.gz QEECTRUANZFWBA-BPCQOVAHSA-N 1 0 256.390 1.430 20 70 CDIDRO CC(C)[N@H+](CCO)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000217662407 280089309 /nfs/dbraw/zinc/08/93/09/280089309.db2.gz RZERBNOLEOXAJL-LSDHHAIUSA-N 1 0 282.428 1.870 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000161205475 282072755 /nfs/dbraw/zinc/07/27/55/282072755.db2.gz IISQCHPPRLDDCP-NEPJUHHUSA-N 1 0 256.390 1.825 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160135664 295252816 /nfs/dbraw/zinc/25/28/16/295252816.db2.gz LVNQWUBPCPZPJU-AAEUAGOBSA-N 1 0 294.782 1.841 20 70 CDIDRO CC(C)OCCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000160375602 482796481 /nfs/dbraw/zinc/79/64/81/482796481.db2.gz KNMGGYPQRXNDGS-UHFFFAOYSA-N 1 0 262.353 1.487 20 70 CDIDRO CCCn1nc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161002536 482850763 /nfs/dbraw/zinc/85/07/63/482850763.db2.gz USDFWZAPUFFYKM-OLZOCXBDSA-N 1 0 278.400 1.910 20 70 CDIDRO CN(C)C(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161283383 482872703 /nfs/dbraw/zinc/87/27/03/482872703.db2.gz LRNHNPSQKKBKAY-UONOGXRCSA-N 1 0 289.379 1.388 20 70 CDIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ncccc1O ZINC000160787718 520646188 /nfs/dbraw/zinc/64/61/88/520646188.db2.gz AKKIFGGCPGESGD-OSQNNJELSA-N 1 0 291.351 1.258 20 70 CDIDRO [NH3+]C1(CNC(=O)CC2CCOCC2)CCCCC1 ZINC000159751619 534534714 /nfs/dbraw/zinc/53/47/14/534534714.db2.gz RSLGLCNTCGFSIH-UHFFFAOYSA-N 1 0 254.374 1.581 20 70 CDIDRO CCCN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160907671 521663645 /nfs/dbraw/zinc/66/36/45/521663645.db2.gz CKAZNQHOOYOGFZ-CYBMUJFWSA-N 1 0 283.416 1.417 20 70 CDIDRO C[NH+]1CCC(CCNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161094540 523759572 /nfs/dbraw/zinc/75/95/72/523759572.db2.gz VCZPYRMYNADNJE-CQSZACIVSA-N 1 0 290.411 1.294 20 70 CDIDRO CC(C)(CNC(=O)[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC000161409445 527151068 /nfs/dbraw/zinc/15/10/68/527151068.db2.gz FOSSSZIQZONWNU-ZDUSSCGKSA-N 1 0 268.401 1.936 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cccc(-n2ccnc2)c1 ZINC000160097722 527255747 /nfs/dbraw/zinc/25/57/47/527255747.db2.gz WMGFQDJSXCMXHE-UHFFFAOYSA-N 1 0 258.325 1.339 20 70 CDIDRO CC1CC[NH+](CCCNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000159943738 528239119 /nfs/dbraw/zinc/23/91/19/528239119.db2.gz NYLCHYFAUNARCJ-MRXNPFEDSA-N 1 0 297.443 1.665 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161404036 536325212 /nfs/dbraw/zinc/32/52/12/536325212.db2.gz LCPAEOSPUOOMLN-CYBMUJFWSA-N 1 0 254.374 1.261 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)nc2)CC1 ZINC000159572016 361740964 /nfs/dbraw/zinc/74/09/64/361740964.db2.gz BZRBCGWYXNHRSS-UHFFFAOYSA-N 1 0 292.383 1.327 20 70 CDIDRO COc1c(C)cc(C(=O)N2CC[NH2+]C[C@H]2C)cc1C ZINC000216787612 342439392 /nfs/dbraw/zinc/43/93/92/342439392.db2.gz RXLOULWHDKIUNM-GFCCVEGCSA-N 1 0 262.353 1.746 20 70 CDIDRO COC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160666206 346190727 /nfs/dbraw/zinc/19/07/27/346190727.db2.gz HKTXQJANJGODLL-CABCVRRESA-N 1 0 295.427 1.539 20 70 CDIDRO O=C(Nc1nncn1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000161153701 362702204 /nfs/dbraw/zinc/70/22/04/362702204.db2.gz NGRGXAFBRUZUEN-ZDUSSCGKSA-N 1 0 285.351 1.407 20 70 CDIDRO CCOC(=O)N(C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000161155305 362702923 /nfs/dbraw/zinc/70/29/23/362702923.db2.gz ZNPUQABTVGZEID-CYBMUJFWSA-N 1 0 299.415 1.406 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000161360966 362794494 /nfs/dbraw/zinc/79/44/94/362794494.db2.gz NIXOSBSYZVNAQK-ZDUSSCGKSA-N 1 0 292.379 1.580 20 70 CDIDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccn1 ZINC000159387138 358458857 /nfs/dbraw/zinc/45/88/57/358458857.db2.gz RVARKZDWXAYTTG-WDEREUQCSA-N 1 0 256.371 1.555 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccc(-n2cccn2)cc1 ZINC000159988745 188449809 /nfs/dbraw/zinc/44/98/09/188449809.db2.gz KQBBQUDYKKVINS-UHFFFAOYSA-N 1 0 258.325 1.339 20 70 CDIDRO CCN(C)C(=O)c1cccc(C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000160805754 188492314 /nfs/dbraw/zinc/49/23/14/188492314.db2.gz BCENJVGVQFPJTK-AWEZNQCLSA-N 1 0 289.379 1.212 20 70 CDIDRO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H](C[NH3+])C1CC1 ZINC000159842795 363372211 /nfs/dbraw/zinc/37/22/11/363372211.db2.gz HRBFZKRMXJSKLU-AWEZNQCLSA-N 1 0 257.337 1.977 20 70 CDIDRO CCN(C(=O)CC[NH2+]C(C)C)[C@@H](C)CS(=O)(=O)CC ZINC000160047666 363613138 /nfs/dbraw/zinc/61/31/38/363613138.db2.gz ZXUHIVFJRATWMZ-LBPRGKRZSA-N 1 0 292.445 1.046 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1CO ZINC000160891306 358779194 /nfs/dbraw/zinc/77/91/94/358779194.db2.gz IBHKZAIQMHFDTA-OCCSQVGLSA-N 1 0 281.400 1.170 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161158566 358791584 /nfs/dbraw/zinc/79/15/84/358791584.db2.gz IYTUSAAABDVSDW-NHYWBVRUSA-N 1 0 296.342 1.280 20 70 CDIDRO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159393899 364198660 /nfs/dbraw/zinc/19/86/60/364198660.db2.gz KQBJKDZGIKPWAT-ZIAGYGMSSA-N 1 0 278.396 1.355 20 70 CDIDRO C[N@@H+](CC(=O)Nc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159460819 364211117 /nfs/dbraw/zinc/21/11/17/364211117.db2.gz GLGVJNFGZOFWAO-JSGCOSHPSA-N 1 0 262.353 1.718 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000159643706 364245971 /nfs/dbraw/zinc/24/59/71/364245971.db2.gz TYQYVCKEUKDRJN-GFCCVEGCSA-N 1 0 264.325 1.468 20 70 CDIDRO Cc1ccccc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000159684724 364251461 /nfs/dbraw/zinc/25/14/61/364251461.db2.gz ZWVWHHFWHHMJKA-CYBMUJFWSA-N 1 0 285.409 1.707 20 70 CDIDRO Cc1csc(N2CC[NH+](CCn3ccnc3)CC2)n1 ZINC000159748357 364260465 /nfs/dbraw/zinc/26/04/65/364260465.db2.gz YKGWIZVIUQKTMM-UHFFFAOYSA-N 1 0 277.397 1.470 20 70 CDIDRO CCn1nc(C)c(C[NH+]2CCC(CC(N)=O)CC2)c1C ZINC000159763657 364262592 /nfs/dbraw/zinc/26/25/92/364262592.db2.gz WBCKIFRSFQVCNE-UHFFFAOYSA-N 1 0 278.400 1.607 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000160348608 364337709 /nfs/dbraw/zinc/33/77/09/364337709.db2.gz SIUHUVJICRGZCY-NSHDSACASA-N 1 0 296.317 1.877 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160382203 364343961 /nfs/dbraw/zinc/34/39/61/364343961.db2.gz TZNHVOIRNGKQAR-JQWIXIFHSA-N 1 0 250.317 1.564 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)C[NH2+]CC2CC2)ccc1F ZINC000160358586 364339205 /nfs/dbraw/zinc/33/92/05/364339205.db2.gz NMWTVAHBDZELAH-UHFFFAOYSA-N 1 0 293.342 1.466 20 70 CDIDRO CC(C)CC(=O)Nc1ccc(C(=O)NCCC[NH3+])cc1F ZINC000160018622 364295595 /nfs/dbraw/zinc/29/55/95/364295595.db2.gz QSZLGLAOFRNNIP-UHFFFAOYSA-N 1 0 295.358 1.889 20 70 CDIDRO Cc1ccc(C(=O)N[C@H](C(=O)NCCC[NH3+])C(C)C)cc1 ZINC000160050208 364298928 /nfs/dbraw/zinc/29/89/28/364298928.db2.gz VCTDXRNPDOFNFY-AWEZNQCLSA-N 1 0 291.395 1.214 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000160098071 364306188 /nfs/dbraw/zinc/30/61/88/364306188.db2.gz MOBQMJZATPSPNG-GFCCVEGCSA-N 1 0 268.382 1.325 20 70 CDIDRO O=C(/C=C/c1cccs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160604297 364380640 /nfs/dbraw/zinc/38/06/40/364380640.db2.gz UUQVMMDQDUAFFK-KTRBRXNASA-N 1 0 294.420 1.724 20 70 CDIDRO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH2+]C)C2)c1Cl ZINC000160811121 364413369 /nfs/dbraw/zinc/41/33/69/364413369.db2.gz RFHPNBQDRHRXBJ-SECBINFHSA-N 1 0 270.764 1.299 20 70 CDIDRO C[C@@]1(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161365530 364484119 /nfs/dbraw/zinc/48/41/19/364484119.db2.gz BXSDUXZLCFKMJD-DZGCQCFKSA-N 1 0 296.798 1.879 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000161478058 364500280 /nfs/dbraw/zinc/50/02/80/364500280.db2.gz JDBURSVCRJDCFU-MRXNPFEDSA-N 1 0 262.397 1.928 20 70 CDIDRO C[C@@H]1CCO[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161135246 367247676 /nfs/dbraw/zinc/24/76/76/367247676.db2.gz DBEWRELURZLHCE-PWSUYJOCSA-N 1 0 268.401 1.837 20 70 CDIDRO O=C1NCCCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000218101648 367261701 /nfs/dbraw/zinc/26/17/01/367261701.db2.gz VGLBUKDXBYWJJC-CYBMUJFWSA-N 1 0 257.337 1.926 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000161205368 367604505 /nfs/dbraw/zinc/60/45/05/367604505.db2.gz IISQCHPPRLDDCP-RYUDHWBXSA-N 1 0 256.390 1.825 20 70 CDIDRO O=C(NCCOC1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000160088159 377003561 /nfs/dbraw/zinc/00/35/61/377003561.db2.gz VQQCLEIHLMHFSM-CYBMUJFWSA-N 1 0 268.401 1.842 20 70 CDIDRO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1C(=O)N(C)C ZINC000160518949 377083016 /nfs/dbraw/zinc/08/30/16/377083016.db2.gz SMSMCLFUJCGZES-LBPRGKRZSA-N 1 0 289.379 1.777 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccccc2F)[C@H](C[NH3+])C1 ZINC000161133376 391350326 /nfs/dbraw/zinc/35/03/26/391350326.db2.gz LZMIRBODTUCDKU-WDEREUQCSA-N 1 0 266.316 1.404 20 70 CDIDRO COc1cccc([C@@H](C)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160174599 147711197 /nfs/dbraw/zinc/71/11/97/147711197.db2.gz JZLBDJSJOBTFJF-YPMHNXCESA-N 1 0 262.353 1.748 20 70 CDIDRO COc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc2c1OCCO2 ZINC000160375288 286194521 /nfs/dbraw/zinc/19/45/21/286194521.db2.gz WOSOUXASHGCDJK-NSHDSACASA-N 1 0 292.335 1.030 20 70 CDIDRO CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000160622020 286515519 /nfs/dbraw/zinc/51/55/19/286515519.db2.gz GBZJTCLCPXLVNA-RDBSUJKOSA-N 1 0 280.412 1.792 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159531793 287082040 /nfs/dbraw/zinc/08/20/40/287082040.db2.gz OWCBBRFIJVUBHO-QBHFIFKDSA-N 1 0 256.390 1.382 20 70 CDIDRO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000217612426 414132480 /nfs/dbraw/zinc/13/24/80/414132480.db2.gz QNRCCMVRAOMKGK-RWMBFGLXSA-N 1 0 254.374 1.233 20 70 CDIDRO CC[NH2+]CC1CCN(c2nc(OC)cc(OC)n2)CC1 ZINC000159809423 276264378 /nfs/dbraw/zinc/26/43/78/276264378.db2.gz CGLGIQGRMYGUFB-UHFFFAOYSA-N 1 0 280.372 1.320 20 70 CDIDRO COc1ccnc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160447402 278065839 /nfs/dbraw/zinc/06/58/39/278065839.db2.gz ZLSGUSVPODOCFV-ZDUSSCGKSA-N 1 0 276.384 1.940 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160672831 279875641 /nfs/dbraw/zinc/87/56/41/279875641.db2.gz FQBRFNZTCBYSIY-GFCCVEGCSA-N 1 0 282.409 1.633 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC000160671147 279875654 /nfs/dbraw/zinc/87/56/54/279875654.db2.gz IYPNQSFLCCQBIY-BXUZGUMPSA-N 1 0 264.344 1.825 20 70 CDIDRO C[C@@H]1CC[C@H](C(=O)NCc2ccc(C[NH+](C)C)cc2)O1 ZINC000159559531 292761810 /nfs/dbraw/zinc/76/18/10/292761810.db2.gz FWNBIHRQTWTUGR-IUODEOHRSA-N 1 0 276.380 1.932 20 70 CDIDRO COCCCn1ccc(NC(=O)CC[NH2+]C(C)C)n1 ZINC000160946951 292796803 /nfs/dbraw/zinc/79/68/03/292796803.db2.gz SPUJZXHWBCGLRQ-UHFFFAOYSA-N 1 0 268.361 1.246 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ccccc1F ZINC000160162349 482356568 /nfs/dbraw/zinc/35/65/68/482356568.db2.gz BZWWIQCTQZDIRP-GFCCVEGCSA-N 1 0 250.317 1.708 20 70 CDIDRO CC[C@H]1CN(Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991243 482775831 /nfs/dbraw/zinc/77/58/31/482775831.db2.gz XDAGWDMSLMRGSJ-STQMWFEESA-N 1 0 292.379 1.983 20 70 CDIDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160923379 482840887 /nfs/dbraw/zinc/84/08/87/482840887.db2.gz VPKYGVDVLUWWJZ-ZYHUDNBSSA-N 1 0 291.351 1.020 20 70 CDIDRO CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161291055 482872878 /nfs/dbraw/zinc/87/28/78/482872878.db2.gz LOXBPINGZYYKDQ-MELADBBJSA-N 1 0 295.427 1.554 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000160398396 519848638 /nfs/dbraw/zinc/84/86/38/519848638.db2.gz IODRENGMGNZAKK-OAHLLOKOSA-N 1 0 298.427 1.516 20 70 CDIDRO COC(C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1)OC ZINC000160455425 522531117 /nfs/dbraw/zinc/53/11/17/522531117.db2.gz UYGQFULTHQSVHU-UHFFFAOYSA-N 1 0 292.379 1.453 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NC[C@@](C)(O)CSC ZINC000159810248 361870860 /nfs/dbraw/zinc/87/08/60/361870860.db2.gz LNBSELQNSZHVTE-CYBMUJFWSA-N 1 0 291.461 1.132 20 70 CDIDRO CCNC(=O)NC(=O)CN1CCC[C@H]1c1cccc(C)n1 ZINC000159822312 361874265 /nfs/dbraw/zinc/87/42/65/361874265.db2.gz LKSXUAJWTMDADB-ZDUSSCGKSA-N 1 0 290.367 1.373 20 70 CDIDRO COCC[NH2+]CC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159826415 361875458 /nfs/dbraw/zinc/87/54/58/361875458.db2.gz RYVHOMPYGAOGMR-OAHLLOKOSA-N 1 0 276.380 1.360 20 70 CDIDRO CCCC[C@H](COC)NC(=O)[C@@H]([NH3+])CCSC ZINC000161167496 361898762 /nfs/dbraw/zinc/89/87/62/361898762.db2.gz ZFWKQBPCVXNBQY-MNOVXSKESA-N 1 0 262.419 1.388 20 70 CDIDRO Cc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cn1 ZINC000161445902 539117789 /nfs/dbraw/zinc/11/77/89/539117789.db2.gz GBFITHGAMWWYEN-UHFFFAOYSA-N 1 0 250.346 1.852 20 70 CDIDRO Cc1cc(Br)ccc1CNC(=O)[C@@H](C)[NH3+] ZINC000159544886 362339900 /nfs/dbraw/zinc/33/99/00/362339900.db2.gz RZOWSSFVUDQYOP-MRVPVSSYSA-N 1 0 271.158 1.721 20 70 CDIDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000159930892 362380307 /nfs/dbraw/zinc/38/03/07/362380307.db2.gz KWOAXJKBHXEPJU-LBPRGKRZSA-N 1 0 290.335 1.323 20 70 CDIDRO Cc1ccc(CNC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000160141189 362395945 /nfs/dbraw/zinc/39/59/45/362395945.db2.gz FUQVFAUDOGFACW-OAHLLOKOSA-N 1 0 293.386 1.419 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000160567120 362445859 /nfs/dbraw/zinc/44/58/59/362445859.db2.gz XKQCWIDMORRPDC-GFCCVEGCSA-N 1 0 273.336 1.005 20 70 CDIDRO Cc1ccc(N2CCC[C@H](NC(=O)C3([NH3+])CC3)C2=O)cc1 ZINC000161316016 362769446 /nfs/dbraw/zinc/76/94/46/362769446.db2.gz JFKXMHXERKBIQC-ZDUSSCGKSA-N 1 0 287.363 1.098 20 70 CDIDRO C[C@@]1(C(=O)Nc2nncn2Cc2ccccc2)CC[NH2+]C1 ZINC000159631994 363089031 /nfs/dbraw/zinc/08/90/31/363089031.db2.gz BTGCFYPGXFXJDQ-OAHLLOKOSA-N 1 0 285.351 1.265 20 70 CDIDRO [NH3+]C1(CNC(=O)c2[nH]nc3ccccc32)CCCCC1 ZINC000159733594 188439216 /nfs/dbraw/zinc/43/92/16/188439216.db2.gz PMNDRIUYZWOMAC-UHFFFAOYSA-N 1 0 272.352 1.954 20 70 CDIDRO CN(C(=O)CC[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745143 188439951 /nfs/dbraw/zinc/43/99/51/188439951.db2.gz CGUFGKFGMVIZKW-GFCCVEGCSA-N 1 0 295.770 1.253 20 70 CDIDRO C[C@]1(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161365424 188524107 /nfs/dbraw/zinc/52/41/07/188524107.db2.gz BXSDUXZLCFKMJD-ZFWWWQNUSA-N 1 0 296.798 1.879 20 70 CDIDRO [NH3+]CCCNC(=O)c1cccc(OCc2cscn2)c1 ZINC000160165450 237170895 /nfs/dbraw/zinc/17/08/95/237170895.db2.gz GLLUOSVTSXKKEM-UHFFFAOYSA-N 1 0 291.376 1.801 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160569411 359651263 /nfs/dbraw/zinc/65/12/63/359651263.db2.gz ZQABAOBVFJXDJC-MNOVXSKESA-N 1 0 258.325 1.397 20 70 CDIDRO CC1CCC(N(C)C(=O)CN(C)[C@@H](C[NH3+])C2CC2)CC1 ZINC000160138461 360818465 /nfs/dbraw/zinc/81/84/65/360818465.db2.gz VLRFVLTWCWPFEO-ZALBZXLWSA-N 1 0 281.444 1.693 20 70 CDIDRO O=C(/C=C\c1ccc(F)cc1)NCC1CC[NH2+]CC1 ZINC000217468824 361022113 /nfs/dbraw/zinc/02/21/13/361022113.db2.gz NZAHDCDTCRPPJS-UTCJRWHESA-N 1 0 262.328 1.955 20 70 CDIDRO CCCO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000159472902 361709845 /nfs/dbraw/zinc/70/98/45/361709845.db2.gz MUCPHKAMFJXXJD-STQMWFEESA-N 1 0 288.457 1.875 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccc(O)c2)CC1 ZINC000159804087 364267528 /nfs/dbraw/zinc/26/75/28/364267528.db2.gz CSTYOKJLHSFJFV-UHFFFAOYSA-N 1 0 291.395 1.672 20 70 CDIDRO C[C@H](CNC(=O)CCCn1cccc1)N1CC[NH+](C)CC1 ZINC000159523628 364226422 /nfs/dbraw/zinc/22/64/22/364226422.db2.gz PMOQCWHFHWQCKX-OAHLLOKOSA-N 1 0 292.427 1.020 20 70 CDIDRO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160267886 364327723 /nfs/dbraw/zinc/32/77/23/364327723.db2.gz NNMZOPPOVYDNHI-ZCFIWIBFSA-N 1 0 262.140 1.505 20 70 CDIDRO Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160527819 364367979 /nfs/dbraw/zinc/36/79/79/364367979.db2.gz BEMPMOLODGFCIJ-OAHLLOKOSA-N 1 0 276.380 1.572 20 70 CDIDRO Cc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160702363 364398986 /nfs/dbraw/zinc/39/89/86/364398986.db2.gz OMDUHWKJSQVFSV-MRXNPFEDSA-N 1 0 290.407 1.501 20 70 CDIDRO Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@](C)(O)C1 ZINC000161406276 364490001 /nfs/dbraw/zinc/49/00/01/364490001.db2.gz RXCQCDYBONZNCV-DOMZBBRYSA-N 1 0 294.399 1.384 20 70 CDIDRO CCc1ncc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cn1 ZINC000161188325 364460824 /nfs/dbraw/zinc/46/08/24/364460824.db2.gz LSIJRSAZQMKZQY-CYBMUJFWSA-N 1 0 291.399 1.987 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000161020901 364904170 /nfs/dbraw/zinc/90/41/70/364904170.db2.gz NVAWFXXGLYMWSE-HNNXBMFYSA-N 1 0 295.427 1.093 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CC2CCOCC2)CC1 ZINC000161137155 367248940 /nfs/dbraw/zinc/24/89/40/367248940.db2.gz ORBFGIBDBASXKX-UHFFFAOYSA-N 1 0 268.401 1.651 20 70 CDIDRO O=C(c1ccc[nH]c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000217933721 375764014 /nfs/dbraw/zinc/76/40/14/375764014.db2.gz WKEBUTLCFDQSAH-GFCCVEGCSA-N 1 0 275.352 1.488 20 70 CDIDRO CC1(C)C[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000161489139 377681429 /nfs/dbraw/zinc/68/14/29/377681429.db2.gz JTRDGOYNUKHNDK-CYBMUJFWSA-N 1 0 295.427 1.870 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1c(F)cccc1F ZINC000160201347 378334239 /nfs/dbraw/zinc/33/42/39/378334239.db2.gz AKTNUSGHKAPJOE-VQCYPWCPSA-N 1 0 266.291 1.928 20 70 CDIDRO COC[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160784317 285211953 /nfs/dbraw/zinc/21/19/53/285211953.db2.gz QLFNYHHTVZAKKI-HIFRSBDPSA-N 1 0 276.380 1.975 20 70 CDIDRO C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160135231 296423581 /nfs/dbraw/zinc/42/35/81/296423581.db2.gz BQQMZHQGHSOFFZ-BZPMIXESSA-N 1 0 267.417 1.445 20 70 CDIDRO COc1ccc(C(=O)CCC(=O)NCCC[NH3+])cc1OC ZINC000160135802 533277066 /nfs/dbraw/zinc/27/70/66/533277066.db2.gz PXTDCCJRAJSAFI-UHFFFAOYSA-N 1 0 294.351 1.132 20 70 CDIDRO CN(CC(=O)N1CCc2sccc2C1)[C@H](C[NH3+])C1CC1 ZINC000159975626 392494501 /nfs/dbraw/zinc/49/45/01/392494501.db2.gz CWPVQXBTQZZAHO-CYBMUJFWSA-N 1 0 293.436 1.302 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000161103165 277654362 /nfs/dbraw/zinc/65/43/62/277654362.db2.gz RYKOOGWRHMARPH-QWHCGFSZSA-N 1 0 266.316 1.404 20 70 CDIDRO CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160293876 278080982 /nfs/dbraw/zinc/08/09/82/278080982.db2.gz UUEYPDSGLCESKB-GFCCVEGCSA-N 1 0 264.373 1.346 20 70 CDIDRO O=C(/C=C\c1ccc(F)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000217463356 280088838 /nfs/dbraw/zinc/08/88/38/280088838.db2.gz PACRVKLAWJNURX-DMTLFAOVSA-N 1 0 262.328 1.955 20 70 CDIDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(CO)CC2)CC1 ZINC000159549343 292761099 /nfs/dbraw/zinc/76/10/99/292761099.db2.gz QDLNHAJXMRFIRW-UHFFFAOYSA-N 1 0 284.400 1.748 20 70 CDIDRO COc1ccc(/C=C/C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159803922 292769983 /nfs/dbraw/zinc/76/99/83/292769983.db2.gz AWOHGARBXKONIW-RNOHYWCBSA-N 1 0 274.364 1.904 20 70 CDIDRO C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)C[NH+]1CCCCC1 ZINC000160705502 292792572 /nfs/dbraw/zinc/79/25/72/292792572.db2.gz FCZWDTHHDHGREE-HOCLYGCPSA-N 1 0 297.443 1.665 20 70 CDIDRO O=C(c1ccn(-c2cccc(F)c2)n1)N1CC[NH2+]CC1 ZINC000159386653 482661024 /nfs/dbraw/zinc/66/10/24/482661024.db2.gz ZAMOJOJYJZIMBT-UHFFFAOYSA-N 1 0 274.299 1.057 20 70 CDIDRO CN(Cc1nc(-c2ccccn2)no1)[C@H](C[NH3+])C1CC1 ZINC000160117358 482785981 /nfs/dbraw/zinc/78/59/81/482785981.db2.gz YKUBYMOSSHKMST-GFCCVEGCSA-N 1 0 273.340 1.301 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000161015491 482853240 /nfs/dbraw/zinc/85/32/40/482853240.db2.gz ZWMIGRRTMHMFBZ-RYUDHWBXSA-N 1 0 292.383 1.656 20 70 CDIDRO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000161087338 482858913 /nfs/dbraw/zinc/85/89/13/482858913.db2.gz BHGYHTKGIDCPMN-AVGNSLFASA-N 1 0 281.400 1.021 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160366779 522826239 /nfs/dbraw/zinc/82/62/39/522826239.db2.gz CFEVKQLNNQJJED-CABCVRRESA-N 1 0 295.427 1.681 20 70 CDIDRO CC[C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC000161279819 523758130 /nfs/dbraw/zinc/75/81/30/523758130.db2.gz AJEFBNATXNRADO-CQSZACIVSA-N 1 0 295.427 1.330 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161136900 523994502 /nfs/dbraw/zinc/99/45/02/523994502.db2.gz WRZRYDSVKFBBEH-STQMWFEESA-N 1 0 282.771 1.918 20 70 CDIDRO O=C(CC1CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160195534 534821535 /nfs/dbraw/zinc/82/15/35/534821535.db2.gz FEISTZJEBNJPRW-HUUCEWRRSA-N 1 0 280.412 1.671 20 70 CDIDRO CSC1(CNC(=O)CC2CC[NH2+]CC2)CCOCC1 ZINC000161212929 525315433 /nfs/dbraw/zinc/31/54/33/525315433.db2.gz PTGLTSZZDZELKQ-UHFFFAOYSA-N 1 0 286.441 1.405 20 70 CDIDRO C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160524934 525944332 /nfs/dbraw/zinc/94/43/32/525944332.db2.gz HPKQBUILDMKXQH-BNOWGMLFSA-N 1 0 292.354 1.946 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159590666 361744986 /nfs/dbraw/zinc/74/49/86/361744986.db2.gz HPFIEPQMFXAZDG-GHMZBOCLSA-N 1 0 258.325 1.397 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)CC2 ZINC000160406052 282117367 /nfs/dbraw/zinc/11/73/67/282117367.db2.gz RFBPGUBUTABSFS-GWCFXTLKSA-N 1 0 286.383 1.659 20 70 CDIDRO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160790549 539116797 /nfs/dbraw/zinc/11/67/97/539116797.db2.gz USCLROYTVLDLJO-HZMBPMFUSA-N 1 0 280.343 1.855 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC[NH+]1CCCCCC1 ZINC000160222439 362064705 /nfs/dbraw/zinc/06/47/05/362064705.db2.gz OHXUZYZKVIUMGI-UHFFFAOYSA-N 1 0 297.443 1.531 20 70 CDIDRO CN(CC(=O)N(C)C1CCCCC1)[C@H](C[NH3+])C1CC1 ZINC000160026259 362388396 /nfs/dbraw/zinc/38/83/96/362388396.db2.gz WAOLGKMFVMKMMV-CQSZACIVSA-N 1 0 267.417 1.447 20 70 CDIDRO Cc1ccccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160150232 362399239 /nfs/dbraw/zinc/39/92/39/362399239.db2.gz HXVXOKGMAZRCPU-AWEZNQCLSA-N 1 0 261.369 1.603 20 70 CDIDRO CCC[C@H](O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160930688 362554642 /nfs/dbraw/zinc/55/46/42/362554642.db2.gz HSXMEQCVLCXLKG-CABCVRRESA-N 1 0 299.459 1.957 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000159457702 136550714 /nfs/dbraw/zinc/55/07/14/136550714.db2.gz YGVBMKAZLJHSIU-BXUZGUMPSA-N 1 0 280.343 1.634 20 70 CDIDRO CS[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159616931 363066595 /nfs/dbraw/zinc/06/65/95/363066595.db2.gz MQQJDGZMLDGLHY-NEPJUHHUSA-N 1 0 273.446 1.912 20 70 CDIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)(C)C ZINC000161016329 188503306 /nfs/dbraw/zinc/50/33/06/188503306.db2.gz JCBQCGZFKIJLKI-NSHDSACASA-N 1 0 291.395 1.426 20 70 CDIDRO O=C(NCc1ncc[nH]1)[C@H]1OCCc2ccccc21 ZINC000159745051 363270228 /nfs/dbraw/zinc/27/02/28/363270228.db2.gz GAFCDYJVWLZTQC-ZDUSSCGKSA-N 1 0 257.293 1.340 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC000160368822 283328056 /nfs/dbraw/zinc/32/80/56/283328056.db2.gz QRRXKOQAUWOARR-AWEZNQCLSA-N 1 0 286.416 1.372 20 70 CDIDRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159696292 283348609 /nfs/dbraw/zinc/34/86/09/283348609.db2.gz BWOBBMCYKUCULC-QWRGUYRKSA-N 1 0 253.346 1.097 20 70 CDIDRO COCCCOC1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000159791028 237160325 /nfs/dbraw/zinc/16/03/25/237160325.db2.gz YTLKCKHLQOGMOC-UHFFFAOYSA-N 1 0 272.389 1.015 20 70 CDIDRO [NH3+]C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 ZINC000159429598 283486947 /nfs/dbraw/zinc/48/69/47/283486947.db2.gz HBFJNYAXQQKQSK-LLVKDONJSA-N 1 0 274.286 1.865 20 70 CDIDRO CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000161049277 361669238 /nfs/dbraw/zinc/66/92/38/361669238.db2.gz KMHXEVUFDJONIC-SNVBAGLBSA-N 1 0 264.373 1.936 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)C12CCCC2 ZINC000159555121 361729354 /nfs/dbraw/zinc/72/93/54/361729354.db2.gz PZIXKUFMWSNGFB-KGLIPLIRSA-N 1 0 280.412 1.840 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000159425219 364203887 /nfs/dbraw/zinc/20/38/87/364203887.db2.gz BDGACABCVKBZPY-MJBXVCDLSA-N 1 0 278.396 1.607 20 70 CDIDRO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c(C)c1 ZINC000159504082 364221263 /nfs/dbraw/zinc/22/12/63/364221263.db2.gz OJJUTKDPXFZNBR-CHWSQXEVSA-N 1 0 264.369 1.943 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000159798081 364267054 /nfs/dbraw/zinc/26/70/54/364267054.db2.gz RTURMUDLMGLKOG-VHSXEESVSA-N 1 0 253.371 1.457 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000160284780 364329040 /nfs/dbraw/zinc/32/90/40/364329040.db2.gz MJCRWMMVNGQVHW-LLVKDONJSA-N 1 0 284.306 1.780 20 70 CDIDRO CC1CCN(c2ccc(C(=O)NCC(C)(C)[NH3+])cn2)CC1 ZINC000160002553 364292865 /nfs/dbraw/zinc/29/28/65/364292865.db2.gz OIFKUIUZKNDKSA-UHFFFAOYSA-N 1 0 290.411 1.785 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160071291 364302736 /nfs/dbraw/zinc/30/27/36/364302736.db2.gz TVXDCSVZALBZQQ-VHSXEESVSA-N 1 0 268.307 1.922 20 70 CDIDRO Nn1c(SCCn2ccnc2)nnc1[C@H]1CCCCO1 ZINC000160159215 364312423 /nfs/dbraw/zinc/31/24/23/364312423.db2.gz KFHZCYHOCSDIBC-SNVBAGLBSA-N 1 0 294.384 1.222 20 70 CDIDRO C[NH+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160747758 364405903 /nfs/dbraw/zinc/40/59/03/364405903.db2.gz YNJGFZLQBHWODC-CABCVRRESA-N 1 0 291.395 1.768 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC000160498250 364363301 /nfs/dbraw/zinc/36/33/01/364363301.db2.gz QJYZGIUSNCTGBB-MFKMUULPSA-N 1 0 250.317 1.750 20 70 CDIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnn(C)c1 ZINC000160524784 364366401 /nfs/dbraw/zinc/36/64/01/364366401.db2.gz RODIFXNPPVIFQT-SECBINFHSA-N 1 0 278.278 1.139 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2OC)C1 ZINC000160512782 364366489 /nfs/dbraw/zinc/36/64/89/364366489.db2.gz DTGFOEPIMDOXBK-CYBMUJFWSA-N 1 0 262.353 1.448 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000160541583 364369465 /nfs/dbraw/zinc/36/94/65/364369465.db2.gz PWQKKVFAHYOKAQ-FZMZJTMJSA-N 1 0 292.354 1.855 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000160583240 364376676 /nfs/dbraw/zinc/37/66/76/364376676.db2.gz BBMOXIJMYNEZTQ-ZDUSSCGKSA-N 1 0 264.344 1.924 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000160591420 364379286 /nfs/dbraw/zinc/37/92/86/364379286.db2.gz WJVLTLQRONWQSM-SNVBAGLBSA-N 1 0 274.299 1.203 20 70 CDIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000160699615 364397405 /nfs/dbraw/zinc/39/74/05/364397405.db2.gz LNRGNSNCAIPHAX-IUODEOHRSA-N 1 0 274.364 1.321 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000160735873 364402258 /nfs/dbraw/zinc/40/22/58/364402258.db2.gz AQBWFAFTYBVZCY-ZDUSSCGKSA-N 1 0 276.336 1.088 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000160752264 364405469 /nfs/dbraw/zinc/40/54/69/364405469.db2.gz NNGFIPXQVUDQHE-HNNXBMFYSA-N 1 0 298.390 1.674 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc(-n2ccnn2)cc1)[NH+](C)C ZINC000161119758 364451684 /nfs/dbraw/zinc/45/16/84/364451684.db2.gz NYGMMYXNVHERRF-ZDUSSCGKSA-N 1 0 273.340 1.546 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)NCC[C@H](O)c2ccccc2)C1 ZINC000160848304 364418692 /nfs/dbraw/zinc/41/86/92/364418692.db2.gz NQHDNLXUALZGOX-IHRRRGAJSA-N 1 0 262.353 1.354 20 70 CDIDRO c1cnnc(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161314740 364476531 /nfs/dbraw/zinc/47/65/31/364476531.db2.gz YBGMRJCRLWKHJU-UHFFFAOYSA-N 1 0 289.427 1.475 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1c(C)nn(C)c1Cl ZINC000161340781 364480580 /nfs/dbraw/zinc/48/05/80/364480580.db2.gz LOOSQRSDHJDBHL-MLRMMBSGSA-N 1 0 296.802 1.606 20 70 CDIDRO Cn1cnc(-c2cccc(NC(=O)NCC[NH+](C)C)c2)n1 ZINC000161466196 364498591 /nfs/dbraw/zinc/49/85/91/364498591.db2.gz ZYTMCSFMUXGWJX-UHFFFAOYSA-N 1 0 288.355 1.165 20 70 CDIDRO O=C([C@@H]1OCCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160164110 296083688 /nfs/dbraw/zinc/08/36/88/296083688.db2.gz CGXJCIOJIOHCAK-IJEWVQPXSA-N 1 0 286.375 1.653 20 70 CDIDRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217520657 373715666 /nfs/dbraw/zinc/71/56/66/373715666.db2.gz LQEVFYOOORJLOS-STQMWFEESA-N 1 0 296.436 1.822 20 70 CDIDRO Cc1nc([C@@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2F)no1 ZINC000160138205 377048854 /nfs/dbraw/zinc/04/88/54/377048854.db2.gz YYNUXVGQTQDLDK-HQJQHLMTSA-N 1 0 278.287 1.070 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000160549037 377085497 /nfs/dbraw/zinc/08/54/97/377085497.db2.gz IOLFGFFZAGTGMK-CQSZACIVSA-N 1 0 299.459 1.807 20 70 CDIDRO CSC1(CNC(=O)[C@@]2(C)CC[NH2+]C2)CCOCC1 ZINC000161212305 533505369 /nfs/dbraw/zinc/50/53/69/533505369.db2.gz IPYVVPHEHOTEKM-LBPRGKRZSA-N 1 0 272.414 1.014 20 70 CDIDRO C[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160097666 287312482 /nfs/dbraw/zinc/31/24/82/287312482.db2.gz UCEBZHVKOMRNHB-BNOWGMLFSA-N 1 0 267.417 1.350 20 70 CDIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC[NH3+] ZINC000161095790 274319591 /nfs/dbraw/zinc/31/95/91/274319591.db2.gz ZQAGPPJRVNDDGT-YMTOWFKASA-N 1 0 250.317 1.914 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000159659675 276258484 /nfs/dbraw/zinc/25/84/84/276258484.db2.gz DHMHREXAUFNRDE-OLZOCXBDSA-N 1 0 254.374 1.356 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccnc(-n2cccn2)c1 ZINC000161355770 277028496 /nfs/dbraw/zinc/02/84/96/277028496.db2.gz RUSRJLFJUIMZDM-ZDUSSCGKSA-N 1 0 285.351 1.091 20 70 CDIDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160945080 277248200 /nfs/dbraw/zinc/24/82/00/277248200.db2.gz YPLHQHLMVMXNAG-LLVKDONJSA-N 1 0 274.368 1.457 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000160916928 278304281 /nfs/dbraw/zinc/30/42/81/278304281.db2.gz DBDUUJHRRIGMKE-MRVPVSSYSA-N 1 0 283.169 1.681 20 70 CDIDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1 ZINC000216997052 280087975 /nfs/dbraw/zinc/08/79/75/280087975.db2.gz PKKXXLNCZGCWAU-UJZCVKTISA-N 1 0 250.317 1.938 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)NCC(C)C)C(=O)OC ZINC000159654749 292764904 /nfs/dbraw/zinc/76/49/04/292764904.db2.gz GXADOHADWQGMFK-UHFFFAOYSA-N 1 0 272.389 1.328 20 70 CDIDRO CC1(C)[C@H](NC(=O)CC2([NH3+])CCC2)[C@@H]2CCO[C@@H]21 ZINC000159548299 482707589 /nfs/dbraw/zinc/70/75/89/482707589.db2.gz UIBZHLPHQBNCQA-WCQGTBRESA-N 1 0 252.358 1.188 20 70 CDIDRO CCCn1nccc1C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000160106865 482784319 /nfs/dbraw/zinc/78/43/19/482784319.db2.gz AQQMEDBJRAQDKT-LBPRGKRZSA-N 1 0 266.389 1.688 20 70 CDIDRO Cc1sc(=O)n(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161011708 482853414 /nfs/dbraw/zinc/85/34/14/482853414.db2.gz ZTNGACDBNKYQDN-NEPJUHHUSA-N 1 0 297.424 1.303 20 70 CDIDRO CCN(CC)C(=O)CCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161276764 482872715 /nfs/dbraw/zinc/87/27/15/482872715.db2.gz YARKQTYIYAYJPF-STQMWFEESA-N 1 0 283.416 1.411 20 70 CDIDRO [NH3+]CCCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000160129226 534611196 /nfs/dbraw/zinc/61/11/96/534611196.db2.gz GLARUCUIHWFQLS-UHFFFAOYSA-N 1 0 275.352 1.043 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000160127376 534684186 /nfs/dbraw/zinc/68/41/86/534684186.db2.gz GOQMRKAUEDSSDF-VIFPVBQESA-N 1 0 262.288 1.265 20 70 CDIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000161420646 523222515 /nfs/dbraw/zinc/22/25/15/523222515.db2.gz LVVJRACEKKTJSB-CHWSQXEVSA-N 1 0 276.446 1.874 20 70 CDIDRO C[C@]1(c2ccccc2)CN(C(=O)CCC[NH3+])CCO1 ZINC000159648854 361760931 /nfs/dbraw/zinc/76/09/31/361760931.db2.gz KCTGDIKTGRWFCE-OAHLLOKOSA-N 1 0 262.353 1.500 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159653646 361760075 /nfs/dbraw/zinc/76/00/75/361760075.db2.gz UFVIPZUAJNFKRN-LBPRGKRZSA-N 1 0 272.389 1.076 20 70 CDIDRO CN1CC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)CC1=O ZINC000159689424 361781220 /nfs/dbraw/zinc/78/12/20/361781220.db2.gz PIBVELFKLCXPFU-CYBMUJFWSA-N 1 0 295.427 1.283 20 70 CDIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)n1 ZINC000159797036 361854033 /nfs/dbraw/zinc/85/40/33/361854033.db2.gz MLGOBQZYSXDMHU-AWEZNQCLSA-N 1 0 287.363 1.676 20 70 CDIDRO [NH3+]C1(CNC(=O)/C=C/c2cccnc2)CCCCC1 ZINC000159608306 398281995 /nfs/dbraw/zinc/28/19/95/398281995.db2.gz IMASYHHLRJTPOX-VOTSOKGWSA-N 1 0 259.353 1.873 20 70 CDIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797412 529397950 /nfs/dbraw/zinc/39/79/50/529397950.db2.gz FWJJCVWQDZKSTI-QMTHXVAHSA-N 1 0 289.379 1.627 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc2nc[nH]c21 ZINC000159399904 539114074 /nfs/dbraw/zinc/11/40/74/539114074.db2.gz DWJITBDLSPKNRK-UHFFFAOYSA-N 1 0 272.352 1.731 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CCC[NH2+]C2)s1 ZINC000161087176 362042158 /nfs/dbraw/zinc/04/21/58/362042158.db2.gz ZSIJFWLIWBLOGV-MRVPVSSYSA-N 1 0 253.327 1.284 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159613756 362350785 /nfs/dbraw/zinc/35/07/85/362350785.db2.gz HAUCAKHKJJCMQS-NEPJUHHUSA-N 1 0 258.431 1.961 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000159929666 362379931 /nfs/dbraw/zinc/37/99/31/362379931.db2.gz IHRZKTVKIOCOBC-AWEZNQCLSA-N 1 0 282.409 1.661 20 70 CDIDRO CN(Cc1nc(-c2ccsc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160005527 362387144 /nfs/dbraw/zinc/38/71/44/362387144.db2.gz VTCMZTYTTJZFLP-LLVKDONJSA-N 1 0 278.381 1.967 20 70 CDIDRO CCn1nc(C[NH2+]C[C@]2(OC)CCOC2)c2ccccc21 ZINC000160326089 362413323 /nfs/dbraw/zinc/41/33/23/362413323.db2.gz MEDKHXMDIAPRHU-MRXNPFEDSA-N 1 0 289.379 1.951 20 70 CDIDRO CCC(CC)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161032999 362501532 /nfs/dbraw/zinc/50/15/32/362501532.db2.gz DNUGJOCNVUPKAB-CQSZACIVSA-N 1 0 268.401 1.746 20 70 CDIDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)OCO3)CCOC1 ZINC000160091043 362515356 /nfs/dbraw/zinc/51/53/56/362515356.db2.gz QNWSFVNNCYCDQS-AWEZNQCLSA-N 1 0 265.309 1.310 20 70 CDIDRO CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160723766 346248995 /nfs/dbraw/zinc/24/89/95/346248995.db2.gz FZILZLGTBFSWAC-CQSZACIVSA-N 1 0 265.401 1.912 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000160887000 346659003 /nfs/dbraw/zinc/65/90/03/346659003.db2.gz QNCRVEXGDFISLC-JQWIXIFHSA-N 1 0 270.373 1.350 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Cn1cccn1 ZINC000161185001 365999532 /nfs/dbraw/zinc/99/95/32/365999532.db2.gz RCRFWHKISZISLP-LBPRGKRZSA-N 1 0 266.389 1.401 20 70 CDIDRO [NH3+]CCCNC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000160070884 188453851 /nfs/dbraw/zinc/45/38/51/188453851.db2.gz KQTIEVIHKYKZTQ-NSCUHMNNSA-N 1 0 284.772 1.527 20 70 CDIDRO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160293588 188464462 /nfs/dbraw/zinc/46/44/62/188464462.db2.gz QNEMBTXPBFNRJI-TZMCWYRMSA-N 1 0 262.353 1.712 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)NCC(C)(C)[NH3+])cc12 ZINC000160036383 188451871 /nfs/dbraw/zinc/45/18/71/188451871.db2.gz LDJZPSGRMSXREP-UHFFFAOYSA-N 1 0 266.370 1.410 20 70 CDIDRO C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH+]1CCCCC1 ZINC000160528539 188478687 /nfs/dbraw/zinc/47/86/87/188478687.db2.gz ARCKGPDUGXPUIV-ZDUSSCGKSA-N 1 0 291.395 1.237 20 70 CDIDRO CC[NH+](CC)CCCNCc1ccc(S(C)(=O)=O)cc1 ZINC000159736286 363253059 /nfs/dbraw/zinc/25/30/59/363253059.db2.gz NWSNHXJFNQFSJJ-UHFFFAOYSA-N 1 0 298.452 1.912 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000159824618 363354878 /nfs/dbraw/zinc/35/48/78/363354878.db2.gz JLHMHAYFZXOOCB-OAHLLOKOSA-N 1 0 283.416 1.416 20 70 CDIDRO C[NH2+]CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160932408 356670653 /nfs/dbraw/zinc/67/06/53/356670653.db2.gz PQOKQFQFFJNXTO-LLVKDONJSA-N 1 0 295.770 1.171 20 70 CDIDRO COc1ccc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980700 357159599 /nfs/dbraw/zinc/15/95/99/357159599.db2.gz LJWXLCHTWBNPTR-HIFRSBDPSA-N 1 0 264.369 1.633 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000159471144 283406264 /nfs/dbraw/zinc/40/62/64/283406264.db2.gz RBURCOLUTBOFPO-ZIAGYGMSSA-N 1 0 268.401 1.794 20 70 CDIDRO COc1cc(NC(=O)NCC[NH+](C)C)cc(OC)c1OC ZINC000217268349 358989383 /nfs/dbraw/zinc/98/93/83/358989383.db2.gz PMBYESRDJZYGOE-UHFFFAOYSA-N 1 0 297.355 1.396 20 70 CDIDRO Cc1cccc([C@@H](C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000160733895 237186804 /nfs/dbraw/zinc/18/68/04/237186804.db2.gz PGGSTILTUCVSLI-HOCLYGCPSA-N 1 0 290.407 1.983 20 70 CDIDRO Cc1cc(C)n([C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000160181833 237167728 /nfs/dbraw/zinc/16/77/28/237167728.db2.gz BWJYPLWFVXVMSA-MCIONIFRSA-N 1 0 276.384 1.414 20 70 CDIDRO C[C@@H](CNC(=O)CCC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000160104737 363671168 /nfs/dbraw/zinc/67/11/68/363671168.db2.gz RVWLWEWNCLAJHA-AWEZNQCLSA-N 1 0 283.460 1.812 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160144226 363688929 /nfs/dbraw/zinc/68/89/29/363688929.db2.gz WNPANXPXAFYCRI-ZIAGYGMSSA-N 1 0 289.379 1.282 20 70 CDIDRO CCN(CC)C(=O)CCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161276974 482872680 /nfs/dbraw/zinc/87/26/80/482872680.db2.gz YARKQTYIYAYJPF-OLZOCXBDSA-N 1 0 283.416 1.411 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000159438675 364205692 /nfs/dbraw/zinc/20/56/92/364205692.db2.gz PAQSENZMTAZBEL-GXFFZTMASA-N 1 0 282.771 1.758 20 70 CDIDRO Cn1cc(CC(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000159626005 364243412 /nfs/dbraw/zinc/24/34/12/364243412.db2.gz KSZRUXJGJVHQGB-UHFFFAOYSA-N 1 0 278.400 1.391 20 70 CDIDRO Cc1nn(C)c2ncc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc12 ZINC000159662417 364247814 /nfs/dbraw/zinc/24/78/14/364247814.db2.gz KQEASJYDRSAXPP-ZFWWWQNUSA-N 1 0 288.395 1.870 20 70 CDIDRO C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159870049 364276107 /nfs/dbraw/zinc/27/61/07/364276107.db2.gz IAUXBZBEAOBTSS-GJZGRUSLSA-N 1 0 276.380 1.396 20 70 CDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000160330982 364336031 /nfs/dbraw/zinc/33/60/31/364336031.db2.gz APHUGUILPPXOKC-HNNXBMFYSA-N 1 0 299.378 1.481 20 70 CDIDRO CCOc1cc(CCCNC(=O)CCC[NH3+])ccc1OC ZINC000160063899 364300426 /nfs/dbraw/zinc/30/04/26/364300426.db2.gz YAEHLYKXTMXTFV-UHFFFAOYSA-N 1 0 294.395 1.882 20 70 CDIDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1C ZINC000160533887 364367093 /nfs/dbraw/zinc/36/70/93/364367093.db2.gz NOBFZOARMHIMDJ-CYBMUJFWSA-N 1 0 278.400 1.579 20 70 CDIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)c1ccc(F)cc1F ZINC000161040929 364441187 /nfs/dbraw/zinc/44/11/87/364441187.db2.gz NFNHMBRYPGPWIJ-QPUJVOFHSA-N 1 0 299.321 1.850 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1c(C)nn(C)c1Cl ZINC000161340674 364480700 /nfs/dbraw/zinc/48/07/00/364480700.db2.gz LOOSQRSDHJDBHL-XUIVZRPNSA-N 1 0 296.802 1.606 20 70 CDIDRO COC(C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)OC ZINC000161182354 364461097 /nfs/dbraw/zinc/46/10/97/364461097.db2.gz XUVWTTLCBQLBQC-LBPRGKRZSA-N 1 0 290.367 1.528 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)C(C)(C)[NH3+])ccc1F ZINC000161407564 364669935 /nfs/dbraw/zinc/66/99/35/364669935.db2.gz AODUCZCWTUTFQI-UHFFFAOYSA-N 1 0 267.304 1.203 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000217843978 367259751 /nfs/dbraw/zinc/25/97/51/367259751.db2.gz HYMTVKIFCYHIPP-HFBAOOFYSA-N 1 0 288.391 1.465 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000161174242 367469165 /nfs/dbraw/zinc/46/91/65/367469165.db2.gz KLYQHSMUVLVRDR-STQMWFEESA-N 1 0 262.353 1.488 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1F ZINC000161179229 367483490 /nfs/dbraw/zinc/48/34/90/367483490.db2.gz FBGVDPLIVYBHEJ-LBPRGKRZSA-N 1 0 293.342 1.608 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000161197028 367582226 /nfs/dbraw/zinc/58/22/26/367582226.db2.gz YXCVXZKNSMDUTL-ZDUSSCGKSA-N 1 0 282.359 1.740 20 70 CDIDRO CCC(CC)N1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C)CC1=O ZINC000161220373 367638160 /nfs/dbraw/zinc/63/81/60/367638160.db2.gz AMSUHWMDWLVBTA-TZMCWYRMSA-N 1 0 295.427 1.234 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000161385261 373514558 /nfs/dbraw/zinc/51/45/58/373514558.db2.gz DAOOKLMOYMRLGI-BXUZGUMPSA-N 1 0 292.427 1.426 20 70 CDIDRO COc1cccc([C@@H](C)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160174408 377029182 /nfs/dbraw/zinc/02/91/82/377029182.db2.gz JZLBDJSJOBTFJF-DGCLKSJQSA-N 1 0 262.353 1.748 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(=O)n1C ZINC000160926878 377138614 /nfs/dbraw/zinc/13/86/14/377138614.db2.gz HAUFHEWQXWBFIB-QWHCGFSZSA-N 1 0 291.395 1.236 20 70 CDIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)CC(N)=O)CC2 ZINC000161358250 390959138 /nfs/dbraw/zinc/95/91/38/390959138.db2.gz UKSVJXNWRMCWNE-ZWNOBZJWSA-N 1 0 262.353 1.406 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000159931821 390977129 /nfs/dbraw/zinc/97/71/29/390977129.db2.gz QFRSMRHZOMVUCA-SNVBAGLBSA-N 1 0 282.771 1.745 20 70 CDIDRO CO[C@@H](C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159729197 285550741 /nfs/dbraw/zinc/55/07/41/285550741.db2.gz GSHHRTKPJXYHPN-LBPRGKRZSA-N 1 0 256.390 1.840 20 70 CDIDRO COC(=O)c1occc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130408 140164813 /nfs/dbraw/zinc/16/48/13/140164813.db2.gz XMMQKMDAZNBPMS-OLZOCXBDSA-N 1 0 278.352 1.783 20 70 CDIDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN ZINC000218189984 140165519 /nfs/dbraw/zinc/16/55/19/140165519.db2.gz PRGLBOUAEPTJIH-SECBINFHSA-N 1 0 257.175 1.928 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C12CCC2 ZINC000160995814 286342151 /nfs/dbraw/zinc/34/21/51/286342151.db2.gz HDQGOYVVDIBRHB-QWHCGFSZSA-N 1 0 296.411 1.219 20 70 CDIDRO OCCCCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000160966030 261232469 /nfs/dbraw/zinc/23/24/69/261232469.db2.gz GRZVAYANDLGHBN-UHFFFAOYSA-N 1 0 264.369 1.677 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Oc1ccccc1F ZINC000161164092 264272668 /nfs/dbraw/zinc/27/26/68/264272668.db2.gz NXFQVZNHNRTVBF-MNOVXSKESA-N 1 0 266.316 1.319 20 70 CDIDRO CC(C)C[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000161079589 275587151 /nfs/dbraw/zinc/58/71/51/275587151.db2.gz HRZLQBYTQIDJAE-KBPBESRZSA-N 1 0 270.417 1.774 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000161199073 277027844 /nfs/dbraw/zinc/02/78/44/277027844.db2.gz IOAOPFQJVYIQOW-MNOVXSKESA-N 1 0 298.333 1.943 20 70 CDIDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[C@@H]1c1ccccc1 ZINC000161235179 277843660 /nfs/dbraw/zinc/84/36/60/277843660.db2.gz SXHDKGIVDCEXOX-OEAJRASXSA-N 1 0 288.391 1.361 20 70 CDIDRO CC[NH+](CC)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159888873 279091276 /nfs/dbraw/zinc/09/12/76/279091276.db2.gz CFQFXJXDBSAAKV-ZDUSSCGKSA-N 1 0 268.401 1.936 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)[NH3+])[C@@H](C)CO1 ZINC000161468343 281369411 /nfs/dbraw/zinc/36/94/11/281369411.db2.gz PLRGZSFEYXQAFO-SCRDCRAPSA-N 1 0 262.353 1.631 20 70 CDIDRO CCOC(=O)NCCCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159374768 292757760 /nfs/dbraw/zinc/75/77/60/292757760.db2.gz GYUDEXSXWRPMFR-ZDUSSCGKSA-N 1 0 299.415 1.361 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@H](C2CC2)[NH+](C)C)cnn1C ZINC000160451484 292787112 /nfs/dbraw/zinc/78/71/12/292787112.db2.gz STWFOSICNWHRCT-HSBSLETESA-N 1 0 276.384 1.198 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000161225650 292802470 /nfs/dbraw/zinc/80/24/70/292802470.db2.gz OPZRYUGYXPMTAZ-UHFFFAOYSA-N 1 0 297.443 1.134 20 70 CDIDRO CCCn1nccc1C[NH2+][C@@H](CC(C)C)C(=O)NC ZINC000160086372 482781823 /nfs/dbraw/zinc/78/18/23/482781823.db2.gz JVNHONXXURFMTK-ZDUSSCGKSA-N 1 0 266.389 1.543 20 70 CDIDRO CCCn1nccc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000160173450 482787580 /nfs/dbraw/zinc/78/75/80/482787580.db2.gz QLBKRPQRJIWBEE-UHFFFAOYSA-N 1 0 261.373 1.933 20 70 CDIDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160247588 482790917 /nfs/dbraw/zinc/79/09/17/482790917.db2.gz PUUUKYWTGBGKNX-MJBXVCDLSA-N 1 0 295.427 1.125 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000160891310 482836655 /nfs/dbraw/zinc/83/66/55/482836655.db2.gz OKSYGEZHOJXFKH-NWDGAFQWSA-N 1 0 268.307 1.893 20 70 CDIDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161132751 482862514 /nfs/dbraw/zinc/86/25/14/482862514.db2.gz VIEHZACACQJINK-DGCLKSJQSA-N 1 0 275.352 1.320 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(F)c1 ZINC000161145786 482864967 /nfs/dbraw/zinc/86/49/67/482864967.db2.gz DGUQHYVJIMAIKH-HONMWMINSA-N 1 0 280.343 1.837 20 70 CDIDRO CCOc1ccc(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161386459 482875870 /nfs/dbraw/zinc/87/58/70/482875870.db2.gz PTKVPYMSOVLBCW-STQMWFEESA-N 1 0 292.379 1.850 20 70 CDIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1-n1cncn1 ZINC000161443935 482877924 /nfs/dbraw/zinc/87/79/24/482877924.db2.gz OLJMJPRYOCQQMS-ZIAGYGMSSA-N 1 0 299.378 1.575 20 70 CDIDRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159760475 533892346 /nfs/dbraw/zinc/89/23/46/533892346.db2.gz SFPHAKZAYAYCCK-KGLIPLIRSA-N 1 0 298.427 1.738 20 70 CDIDRO C([C@@H]1CCCO1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161401703 518403603 /nfs/dbraw/zinc/40/36/03/518403603.db2.gz XGMNVNXXHCMOJW-STQMWFEESA-N 1 0 276.384 1.583 20 70 CDIDRO CCN(CC)C(=O)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161432241 520465331 /nfs/dbraw/zinc/46/53/31/520465331.db2.gz MZLYNOFZQABOPQ-UHFFFAOYSA-N 1 0 297.443 1.672 20 70 CDIDRO CN(CC[NH2+][C@H](C(N)=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000160526028 522869934 /nfs/dbraw/zinc/86/99/34/522869934.db2.gz CVUJFSTXPADBAC-CQSZACIVSA-N 1 0 295.402 1.747 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159648002 361761383 /nfs/dbraw/zinc/76/13/83/361761383.db2.gz XKDXDQCWXBTQIS-GOEBONIOSA-N 1 0 276.380 1.744 20 70 CDIDRO CS[C@@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159739138 361820878 /nfs/dbraw/zinc/82/08/78/361820878.db2.gz CXTPGAIXCRTXQS-JTQLQIEISA-N 1 0 256.415 1.729 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000159827937 361872340 /nfs/dbraw/zinc/87/23/40/361872340.db2.gz AVWYIAHFQBDCGQ-NSHDSACASA-N 1 0 282.413 1.941 20 70 CDIDRO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160842451 539116925 /nfs/dbraw/zinc/11/69/25/539116925.db2.gz WJZSFKRAXFIPQL-CJNGLKHVSA-N 1 0 290.407 1.702 20 70 CDIDRO CCc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160266613 529636448 /nfs/dbraw/zinc/63/64/48/529636448.db2.gz BNXGBYLMEOMHNU-CYBMUJFWSA-N 1 0 296.436 1.887 20 70 CDIDRO O=C(N[C@@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000159460416 362323787 /nfs/dbraw/zinc/32/37/87/362323787.db2.gz OBROKFZMCGRACR-CYBMUJFWSA-N 1 0 281.400 1.435 20 70 CDIDRO Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160068226 362392554 /nfs/dbraw/zinc/39/25/54/362392554.db2.gz HSNDQYAEFHIIEK-HNNXBMFYSA-N 1 0 275.396 1.911 20 70 CDIDRO CCOc1ccccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160123242 362396397 /nfs/dbraw/zinc/39/63/97/362396397.db2.gz AHOLHSRMDONHFW-CQSZACIVSA-N 1 0 291.395 1.693 20 70 CDIDRO COc1c(C)cnc(C[NH+]2CCC(OCCO)CC2)c1C ZINC000160437854 362424531 /nfs/dbraw/zinc/42/45/31/362424531.db2.gz ISGCBNHJQFUVIA-UHFFFAOYSA-N 1 0 294.395 1.680 20 70 CDIDRO CCOCC[NH2+]Cc1cncc(Br)c1 ZINC000160562487 362445125 /nfs/dbraw/zinc/44/51/25/362445125.db2.gz YQRBOVFJVRWTJP-UHFFFAOYSA-N 1 0 259.147 1.970 20 70 CDIDRO CCOC(=O)CCCCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160429229 346132808 /nfs/dbraw/zinc/13/28/08/346132808.db2.gz JCUHRAVLAQNFQF-KGLIPLIRSA-N 1 0 296.411 1.710 20 70 CDIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000159402109 358479480 /nfs/dbraw/zinc/47/94/80/358479480.db2.gz SLJQIDYOSMBLDZ-GXTWGEPZSA-N 1 0 258.406 1.630 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000159790894 237160991 /nfs/dbraw/zinc/16/09/91/237160991.db2.gz QJGUGLAMFUKQNK-OAHLLOKOSA-N 1 0 284.400 1.030 20 70 CDIDRO c1ncn(C[C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)n1 ZINC000160302172 361397167 /nfs/dbraw/zinc/39/71/67/361397167.db2.gz MPLRJBNMYYSTMA-CQSZACIVSA-N 1 0 296.378 1.838 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002934 361617286 /nfs/dbraw/zinc/61/72/86/361617286.db2.gz LSWOKPQVAQKIQO-SCSAIBSYSA-N 1 0 253.249 1.125 20 70 CDIDRO C[C@@H](O)C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000159491632 364218687 /nfs/dbraw/zinc/21/86/87/364218687.db2.gz NXEFADOTGUUCRH-KBMXLJTQSA-N 1 0 290.407 1.752 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000159760152 364262871 /nfs/dbraw/zinc/26/28/71/364262871.db2.gz DMQYFGHXMZHRNK-CYBMUJFWSA-N 1 0 294.782 1.985 20 70 CDIDRO CC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159914497 364279989 /nfs/dbraw/zinc/27/99/89/364279989.db2.gz GXTWRVKRDYPSLZ-GFCCVEGCSA-N 1 0 264.373 1.630 20 70 CDIDRO [NH3+]CCCNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000160027729 364297469 /nfs/dbraw/zinc/29/74/69/364297469.db2.gz NGSKSEQFWDVIAI-AWEZNQCLSA-N 1 0 278.352 1.323 20 70 CDIDRO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160515856 364365673 /nfs/dbraw/zinc/36/56/73/364365673.db2.gz UJCZBYOMRXUTGX-RYUDHWBXSA-N 1 0 289.379 1.763 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161313263 364476602 /nfs/dbraw/zinc/47/66/02/364476602.db2.gz MQYNBJCKVYFDKO-UONOGXRCSA-N 1 0 283.393 1.021 20 70 CDIDRO O=C(NCC[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000218070702 367259728 /nfs/dbraw/zinc/25/97/28/367259728.db2.gz VURUIDDUSJQCSH-UHFFFAOYSA-N 1 0 257.337 1.784 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000161404167 373520338 /nfs/dbraw/zinc/52/03/38/373520338.db2.gz LCPAEOSPUOOMLN-ZDUSSCGKSA-N 1 0 254.374 1.261 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)CC[NH3+])[C@@H](C)CO1 ZINC000161468007 373756647 /nfs/dbraw/zinc/75/66/47/373756647.db2.gz VBWJZMQXVUUYKV-GXTWGEPZSA-N 1 0 262.353 1.632 20 70 CDIDRO COC(=O)c1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1C ZINC000161491321 375616853 /nfs/dbraw/zinc/61/68/53/375616853.db2.gz FPSUINJKUQOTMV-LLVKDONJSA-N 1 0 276.336 1.862 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000160505056 377082057 /nfs/dbraw/zinc/08/20/57/377082057.db2.gz JQHKZDAWHVHMTM-RWMBFGLXSA-N 1 0 268.401 1.791 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccsc1 ZINC000160722365 377094904 /nfs/dbraw/zinc/09/49/04/377094904.db2.gz QVRBCVMQURUNBS-UHFFFAOYSA-N 1 0 268.382 1.182 20 70 CDIDRO CC[C@H](C)OCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161487540 377682556 /nfs/dbraw/zinc/68/25/56/377682556.db2.gz QTDDIODUWLCJAT-AVGNSLFASA-N 1 0 256.390 1.791 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508570 412954338 /nfs/dbraw/zinc/95/43/38/412954338.db2.gz YMKVJSNGJFXDTP-QMTHXVAHSA-N 1 0 296.798 1.959 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000159399266 390939768 /nfs/dbraw/zinc/93/97/68/390939768.db2.gz HMUVDEBMECSNOD-GFCCVEGCSA-N 1 0 283.441 1.997 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccccc1-n1cccn1 ZINC000159932713 390977130 /nfs/dbraw/zinc/97/71/30/390977130.db2.gz IDHBITQGURPADW-UHFFFAOYSA-N 1 0 258.325 1.339 20 70 CDIDRO COc1cc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc(OC)c1O ZINC000217610116 392961775 /nfs/dbraw/zinc/96/17/75/392961775.db2.gz ISJHBJCJHJJVET-LLVKDONJSA-N 1 0 294.395 1.982 20 70 CDIDRO CN1C(=O)CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1=O ZINC000217502419 140163586 /nfs/dbraw/zinc/16/35/86/140163586.db2.gz YOTYHDQJDWPNBT-DMTLFAOVSA-N 1 0 258.321 1.437 20 70 CDIDRO CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])C[C@@H](C)O1 ZINC000161193983 165030375 /nfs/dbraw/zinc/03/03/75/165030375.db2.gz FNVRPOZPGGPLSZ-NEPJUHHUSA-N 1 0 256.390 1.777 20 70 CDIDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000217532855 280088800 /nfs/dbraw/zinc/08/88/00/280088800.db2.gz ORNRNKPCGRNJJE-AGLBCWCQSA-N 1 0 288.347 1.626 20 70 CDIDRO CCn1ccnc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000217799102 280089624 /nfs/dbraw/zinc/08/96/24/280089624.db2.gz SIUUBTIFLRTPQS-UHFFFAOYSA-N 1 0 282.388 1.907 20 70 CDIDRO CC1CCC(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)CC1 ZINC000160100360 281750610 /nfs/dbraw/zinc/75/06/10/281750610.db2.gz URXFSFQBQHZJOZ-UXUKBGGZSA-N 1 0 267.417 1.350 20 70 CDIDRO COC(=O)C[C@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160479580 292787922 /nfs/dbraw/zinc/78/79/22/292787922.db2.gz KGNSSZUSHYNFLW-LBPRGKRZSA-N 1 0 292.379 1.564 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000160724555 482205140 /nfs/dbraw/zinc/20/51/40/482205140.db2.gz KFPPBXXZPBJWBH-AEGPPILISA-N 1 0 258.365 1.919 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000160467067 482803233 /nfs/dbraw/zinc/80/32/33/482803233.db2.gz DADAYAKUFFALBI-SECBINFHSA-N 1 0 262.288 1.136 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160783326 482825184 /nfs/dbraw/zinc/82/51/84/482825184.db2.gz ZDSYEEAAWIMQAB-WDEREUQCSA-N 1 0 279.384 1.728 20 70 CDIDRO Cc1ccc(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160944176 482844323 /nfs/dbraw/zinc/84/43/23/482844323.db2.gz RLBMXNCURFJGHQ-OLZOCXBDSA-N 1 0 262.353 1.760 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000161347537 523814354 /nfs/dbraw/zinc/81/43/54/523814354.db2.gz NESZEHKMPOGCNY-LBPRGKRZSA-N 1 0 254.374 1.260 20 70 CDIDRO c1nnc(C2CCN(CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000161488291 526622934 /nfs/dbraw/zinc/62/29/34/526622934.db2.gz BUSGLNXGSFEOPJ-UHFFFAOYSA-N 1 0 277.416 1.860 20 70 CDIDRO O=C(Cc1cc(Cl)ccc1Cl)N1CC[NH2+]CC1 ZINC000159375706 527210052 /nfs/dbraw/zinc/21/00/52/527210052.db2.gz YQUUUKKPMHTHIL-UHFFFAOYSA-N 1 0 273.163 1.968 20 70 CDIDRO Cn1cc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160695734 527238990 /nfs/dbraw/zinc/23/89/90/527238990.db2.gz CCVAVOOJURYOJW-PHIMTYICSA-N 1 0 267.760 1.645 20 70 CDIDRO O=C(Cc1ccccc1F)NCC1CC[NH+](CCO)CC1 ZINC000160698347 527289488 /nfs/dbraw/zinc/28/94/88/527289488.db2.gz OHJRWUQJQHHGBY-UHFFFAOYSA-N 1 0 294.370 1.189 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000161454666 528333035 /nfs/dbraw/zinc/33/30/35/528333035.db2.gz YLIVKMTYYQVTRQ-CYBMUJFWSA-N 1 0 295.427 1.188 20 70 CDIDRO CCc1ccsc1C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161061230 536017674 /nfs/dbraw/zinc/01/76/74/536017674.db2.gz QLCCOZZYVHCESU-RYUDHWBXSA-N 1 0 282.409 1.889 20 70 CDIDRO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC000159627283 361757982 /nfs/dbraw/zinc/75/79/82/361757982.db2.gz HJRRYTBWZYFEMA-CHWSQXEVSA-N 1 0 283.416 1.090 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Cn2cccn2)CC1 ZINC000159731541 361823812 /nfs/dbraw/zinc/82/38/12/361823812.db2.gz HKZSKYADYAGMIE-AWEZNQCLSA-N 1 0 293.415 1.256 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSC(F)(F)F ZINC000161196553 361912713 /nfs/dbraw/zinc/91/27/13/361912713.db2.gz ZUMKTTHYSXVKQM-SSDOTTSWSA-N 1 0 256.293 1.450 20 70 CDIDRO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160811648 539116754 /nfs/dbraw/zinc/11/67/54/539116754.db2.gz CUNQZKGACOAKTM-CJNGLKHVSA-N 1 0 290.407 1.437 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CCO1 ZINC000160842880 362183644 /nfs/dbraw/zinc/18/36/44/362183644.db2.gz IUOMYHDRTLHHKL-LSDHHAIUSA-N 1 0 276.380 1.878 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSCc2cccnc2)C1 ZINC000160990066 347010343 /nfs/dbraw/zinc/01/03/43/347010343.db2.gz QQLZJUDSRPQNTH-OLZOCXBDSA-N 1 0 279.409 1.701 20 70 CDIDRO COC(=O)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)o1 ZINC000159391318 362317788 /nfs/dbraw/zinc/31/77/88/362317788.db2.gz SYHYYSQQNTXPSA-UHFFFAOYSA-N 1 0 294.351 1.558 20 70 CDIDRO CO[C@]1(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CCOC1 ZINC000160098295 362394194 /nfs/dbraw/zinc/39/41/94/362394194.db2.gz CYXMOSZFPKDHLW-WFASDCNBSA-N 1 0 265.353 1.718 20 70 CDIDRO CC(C)(O)C[NH2+]Cc1cncc(Br)c1 ZINC000160582990 362451562 /nfs/dbraw/zinc/45/15/62/362451562.db2.gz IXCZLEIHINFNBB-UHFFFAOYSA-N 1 0 259.147 1.705 20 70 CDIDRO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907303 362562471 /nfs/dbraw/zinc/56/24/71/362562471.db2.gz BINCEBUILQEVMR-RISCZKNCSA-N 1 0 285.351 1.149 20 70 CDIDRO COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159864153 345278446 /nfs/dbraw/zinc/27/84/46/345278446.db2.gz QCNSVKVCKJMUJJ-LLVKDONJSA-N 1 0 253.298 1.413 20 70 CDIDRO COCC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160643631 346187452 /nfs/dbraw/zinc/18/74/52/346187452.db2.gz LGJMWELQXPWHFI-OAHLLOKOSA-N 1 0 295.427 1.539 20 70 CDIDRO Cn1cnnc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160824462 346637859 /nfs/dbraw/zinc/63/78/59/346637859.db2.gz UYWKRUQRYBSMTL-UHFFFAOYSA-N 1 0 291.443 1.903 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000161095365 362961627 /nfs/dbraw/zinc/96/16/27/362961627.db2.gz YPRFCBCLTMFYNS-JQWIXIFHSA-N 1 0 268.382 1.031 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000160613758 188482800 /nfs/dbraw/zinc/48/28/00/188482800.db2.gz FMOYAXFOLPBNPH-SECBINFHSA-N 1 0 278.743 1.422 20 70 CDIDRO Cc1nc2ccccn2c1CN(C)[C@H](C)CS(C)(=O)=O ZINC000160369734 358596841 /nfs/dbraw/zinc/59/68/41/358596841.db2.gz JOFISBXLZGCDRH-LLVKDONJSA-N 1 0 295.408 1.508 20 70 CDIDRO CC[N@H+](Cc1ccc(C(=O)NCCO)cc1)C1CC1 ZINC000159469532 358597219 /nfs/dbraw/zinc/59/72/19/358597219.db2.gz CCKJBWLSBYQXDR-UHFFFAOYSA-N 1 0 262.353 1.393 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(F)c1 ZINC000217582113 359012087 /nfs/dbraw/zinc/01/20/87/359012087.db2.gz GIFIPTZGJFDRBF-NEPJUHHUSA-N 1 0 263.316 1.577 20 70 CDIDRO COC(=O)Cn1cc(CC[N@H+](C2CC2)C2CCCC2)nn1 ZINC000160084055 363649145 /nfs/dbraw/zinc/64/91/45/363649145.db2.gz ITPHYQOHOHMRMB-UHFFFAOYSA-N 1 0 292.383 1.401 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000160846113 361369769 /nfs/dbraw/zinc/36/97/69/361369769.db2.gz ANYDORKVDLOOFS-SCRDCRAPSA-N 1 0 256.390 1.417 20 70 CDIDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(C(C)(C)C)ns1 ZINC000159373578 361674693 /nfs/dbraw/zinc/67/46/93/361674693.db2.gz YKXNXQNUYXBZCU-LLVKDONJSA-N 1 0 297.472 1.883 20 70 CDIDRO CC[C@@H](NC[C@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483600 361712397 /nfs/dbraw/zinc/71/23/97/361712397.db2.gz DJSXBLXRKAGBPH-UONOGXRCSA-N 1 0 286.416 1.275 20 70 CDIDRO Cc1cc(NC(=O)CC[NH3+])ccc1C(=O)NC(C)C ZINC000159496134 364219705 /nfs/dbraw/zinc/21/97/05/364219705.db2.gz BGUANSBMEDOGBZ-UHFFFAOYSA-N 1 0 263.341 1.421 20 70 CDIDRO COC1(C(=O)Nc2ncc(C(C)=O)s2)CC[NH2+]CC1 ZINC000159509182 364223261 /nfs/dbraw/zinc/22/32/61/364223261.db2.gz ADZLMGSSFOHMJO-UHFFFAOYSA-N 1 0 283.353 1.053 20 70 CDIDRO Cc1ccccc1OCCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160316705 364334229 /nfs/dbraw/zinc/33/42/29/364334229.db2.gz KFAWWIZYIXKJIW-CYBMUJFWSA-N 1 0 262.353 1.714 20 70 CDIDRO CC(C)[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000160341379 364338261 /nfs/dbraw/zinc/33/82/61/364338261.db2.gz BZLOGLQXHJCSHW-CQSZACIVSA-N 1 0 278.352 1.964 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc(O)cc1 ZINC000160187447 364317121 /nfs/dbraw/zinc/31/71/21/364317121.db2.gz RAZCYSIQAUIZIF-JTQLQIEISA-N 1 0 266.366 1.434 20 70 CDIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC(C)(C)O ZINC000160644511 364388048 /nfs/dbraw/zinc/38/80/48/364388048.db2.gz FWBUVIZTJOWYHF-GFCCVEGCSA-N 1 0 264.369 1.789 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)[NH+](C)C ZINC000160653163 364389438 /nfs/dbraw/zinc/38/94/38/364389438.db2.gz XGZUWDAACICFLG-JTQLQIEISA-N 1 0 277.324 1.410 20 70 CDIDRO COC(CN1CCOC[C@H]1c1ccc(C)o1)OC ZINC000161149838 364454477 /nfs/dbraw/zinc/45/44/77/364454477.db2.gz AFOFFXDKUOBQJB-NSHDSACASA-N 1 0 255.314 1.580 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161508103 364505065 /nfs/dbraw/zinc/50/50/65/364505065.db2.gz AEGZGIUQRWEXMD-STQMWFEESA-N 1 0 264.325 1.530 20 70 CDIDRO CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217754683 367257933 /nfs/dbraw/zinc/25/79/33/367257933.db2.gz TYQPVPKVUWPXNV-LNSITVRQSA-N 1 0 292.379 1.374 20 70 CDIDRO C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCCO2)C[C@H](C)O1 ZINC000218516898 372148442 /nfs/dbraw/zinc/14/84/42/372148442.db2.gz ZYIVSBNMMMKPAF-FRRDWIJNSA-N 1 0 284.400 1.169 20 70 CDIDRO CCC[N@H+](CC)CCNCc1ccc2c(c1)NC(=O)CO2 ZINC000217664309 375913206 /nfs/dbraw/zinc/91/32/06/375913206.db2.gz FRQIMBXEEJEKOT-UHFFFAOYSA-N 1 0 291.395 1.839 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCNC(=O)C(C)(C)C ZINC000161204049 377478834 /nfs/dbraw/zinc/47/88/34/377478834.db2.gz QSIUASBTFYCGSQ-UHFFFAOYSA-N 1 0 271.405 1.030 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000160471012 533031000 /nfs/dbraw/zinc/03/10/00/533031000.db2.gz SDLYIBJJHMRNNG-JTQLQIEISA-N 1 0 286.734 1.678 20 70 CDIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000161100987 390967232 /nfs/dbraw/zinc/96/72/32/390967232.db2.gz IDBGWMBVYGWQFJ-YUELXQCFSA-N 1 0 276.380 1.926 20 70 CDIDRO CSC[C@@](C)(O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000217644074 392964429 /nfs/dbraw/zinc/96/44/29/392964429.db2.gz WRBQDJBPOZBKOH-HNNXBMFYSA-N 1 0 296.436 1.592 20 70 CDIDRO CN(C(=O)[C@@H]1COc2ccccc2O1)[C@H](C[NH3+])C1CC1 ZINC000159784188 139905714 /nfs/dbraw/zinc/90/57/14/139905714.db2.gz PXNRDIXSTJBASM-RISCZKNCSA-N 1 0 276.336 1.022 20 70 CDIDRO CCc1nnc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1CC ZINC000218132619 140165526 /nfs/dbraw/zinc/16/55/26/140165526.db2.gz JMEQYVLBXWQURJ-WDEREUQCSA-N 1 0 263.389 1.891 20 70 CDIDRO COc1ccnc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160447261 277474415 /nfs/dbraw/zinc/47/44/15/277474415.db2.gz ZLSGUSVPODOCFV-CYBMUJFWSA-N 1 0 276.384 1.940 20 70 CDIDRO CC1(C)[C@H](NC(=O)C2([NH3+])CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000161109178 281480283 /nfs/dbraw/zinc/48/02/83/281480283.db2.gz HNOXNJQBEFIHOH-TUAOUCFPSA-N 1 0 266.385 1.578 20 70 CDIDRO [NH3+]CCCNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000160031520 292776509 /nfs/dbraw/zinc/77/65/09/292776509.db2.gz RXVIPENNWBQCMX-RUDMXATFSA-N 1 0 287.363 1.057 20 70 CDIDRO COc1cc(C2(C(=O)NCC[NH+](C)C)CC2)ccc1C ZINC000160345347 292784493 /nfs/dbraw/zinc/78/44/93/292784493.db2.gz SBZRPWAPGDWYOE-UHFFFAOYSA-N 1 0 276.380 1.713 20 70 CDIDRO CCc1ccc([C@H](CO)[NH2+]Cc2cncn2C)cc1 ZINC000160820185 292794980 /nfs/dbraw/zinc/79/49/80/292794980.db2.gz WAPYFCNONSYZGO-HNNXBMFYSA-N 1 0 259.353 1.806 20 70 CDIDRO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cc2ccccc2o1 ZINC000217842211 533715034 /nfs/dbraw/zinc/71/50/34/533715034.db2.gz MEQCBFDXUMIDRU-WCQGTBRESA-N 1 0 274.320 1.333 20 70 CDIDRO [NH3+]CCCN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160291613 482794175 /nfs/dbraw/zinc/79/41/75/482794175.db2.gz RCIYNQRRXIQNBP-UHFFFAOYSA-N 1 0 295.334 1.028 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC[NH+]1CCCCC1 ZINC000160571287 519590309 /nfs/dbraw/zinc/59/03/09/519590309.db2.gz FMEZYOJGYDPELI-UHFFFAOYSA-N 1 0 283.416 1.141 20 70 CDIDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160415517 523500252 /nfs/dbraw/zinc/50/02/52/523500252.db2.gz LTVRGIMVOAAMEL-NSHDSACASA-N 1 0 275.352 1.884 20 70 CDIDRO CC[C@@](C)([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(N)=O ZINC000160660548 523658549 /nfs/dbraw/zinc/65/85/49/523658549.db2.gz MXCDFCIPVYCNPL-MRXNPFEDSA-N 1 0 297.443 1.515 20 70 CDIDRO CC(C)[C@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161029926 527756914 /nfs/dbraw/zinc/75/69/14/527756914.db2.gz DKHYLQZCJMIVMC-AWEZNQCLSA-N 1 0 267.417 1.319 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000159548803 361734584 /nfs/dbraw/zinc/73/45/84/361734584.db2.gz ADBGMAVUTBJOKZ-KXNHARMFSA-N 1 0 254.374 1.290 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568902 361739140 /nfs/dbraw/zinc/73/91/40/361739140.db2.gz YVPZWAXBAPRYAO-SNVBAGLBSA-N 1 0 250.317 1.879 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2C)CCOC1 ZINC000160350002 342072997 /nfs/dbraw/zinc/07/29/97/342072997.db2.gz VQMRATQROFDHQL-GOEBONIOSA-N 1 0 295.379 1.130 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC(=O)OC(C)C ZINC000159745989 361824508 /nfs/dbraw/zinc/82/45/08/361824508.db2.gz ITTIBVCKNQIXDM-CYBMUJFWSA-N 1 0 299.415 1.502 20 70 CDIDRO Cc1cc(Br)ccc1CNC(=O)[C@H](C)[NH3+] ZINC000159544423 362340025 /nfs/dbraw/zinc/34/00/25/362340025.db2.gz RZOWSSFVUDQYOP-QMMMGPOBSA-N 1 0 271.158 1.721 20 70 CDIDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)OCO3)CCOC1 ZINC000160091189 362394050 /nfs/dbraw/zinc/39/40/50/362394050.db2.gz QNWSFVNNCYCDQS-CQSZACIVSA-N 1 0 265.309 1.310 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000161385341 290727835 /nfs/dbraw/zinc/72/78/35/290727835.db2.gz DAOOKLMOYMRLGI-SMDDNHRTSA-N 1 0 292.427 1.426 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)NCC1(C2CC2)CC1 ZINC000159638116 363093973 /nfs/dbraw/zinc/09/39/73/363093973.db2.gz KGHKIMRXHGATJI-UHFFFAOYSA-N 1 0 283.416 1.444 20 70 CDIDRO CC[C@@H](C(=O)NCCNC(=O)CC1CCCCC1)[NH+](C)C ZINC000159712592 363220184 /nfs/dbraw/zinc/22/01/84/363220184.db2.gz GCLBAAWVYQTESJ-AWEZNQCLSA-N 1 0 297.443 1.529 20 70 CDIDRO CC(C)([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159394528 188423395 /nfs/dbraw/zinc/42/33/95/188423395.db2.gz NRSJOUXSZRLYQB-SNVBAGLBSA-N 1 0 295.770 1.299 20 70 CDIDRO Cn1c(Cl)c(Cl)cc1C(=O)NCC(C)(C)[NH3+] ZINC000160042532 188452815 /nfs/dbraw/zinc/45/28/15/188452815.db2.gz PRJBRBJDOXFUQN-UHFFFAOYSA-N 1 0 264.156 1.799 20 70 CDIDRO CN(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cn1 ZINC000159834527 538846215 /nfs/dbraw/zinc/84/62/15/538846215.db2.gz INPKYGAYFHBBTP-UHFFFAOYSA-N 1 0 276.384 1.235 20 70 CDIDRO C[C@]1(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000161428944 237201760 /nfs/dbraw/zinc/20/17/60/237201760.db2.gz MEBPOBXYBLPSPA-SCRDCRAPSA-N 1 0 268.426 1.873 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C)C1 ZINC000218001541 360655777 /nfs/dbraw/zinc/65/57/77/360655777.db2.gz AHXCYFVWNDQNCX-CHWSQXEVSA-N 1 0 253.390 1.912 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000161095477 360668080 /nfs/dbraw/zinc/66/80/80/360668080.db2.gz YPRFCBCLTMFYNS-PWSUYJOCSA-N 1 0 268.382 1.031 20 70 CDIDRO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000160828713 361254362 /nfs/dbraw/zinc/25/43/62/361254362.db2.gz WXPNMEMHGAEGDC-ZIAGYGMSSA-N 1 0 295.427 1.093 20 70 CDIDRO COc1ccccc1OCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000160325983 361442188 /nfs/dbraw/zinc/44/21/88/361442188.db2.gz PBFHIEDRBIUFJW-HNNXBMFYSA-N 1 0 281.352 1.469 20 70 CDIDRO COCCN(CCCOc1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000159377861 361678415 /nfs/dbraw/zinc/67/84/15/361678415.db2.gz LBVXEMWMZKUQKK-LBPRGKRZSA-N 1 0 298.358 1.417 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000161045413 361668643 /nfs/dbraw/zinc/66/86/43/361668643.db2.gz QDSBRPVXYOIZIQ-ZDUSSCGKSA-N 1 0 287.363 1.518 20 70 CDIDRO CCC[C@](C)(O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000159479216 361710744 /nfs/dbraw/zinc/71/07/44/361710744.db2.gz QBUSRONNKKQPGO-CJNGLKHVSA-N 1 0 293.411 1.752 20 70 CDIDRO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160542851 363989386 /nfs/dbraw/zinc/98/93/86/363989386.db2.gz KSQLLBQBKIFXPJ-KBPBESRZSA-N 1 0 295.427 1.236 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000159749454 364260558 /nfs/dbraw/zinc/26/05/58/364260558.db2.gz QCVJEBDNOJCJBS-UHFFFAOYSA-N 1 0 292.383 1.177 20 70 CDIDRO C[N@@H+](CC(=O)NCc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159870188 364276366 /nfs/dbraw/zinc/27/63/66/364276366.db2.gz IAUXBZBEAOBTSS-CABCVRRESA-N 1 0 276.380 1.396 20 70 CDIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160284432 364329127 /nfs/dbraw/zinc/32/91/27/364329127.db2.gz NUPHMJYIXDYKGZ-MPKXVKKWSA-N 1 0 287.363 1.454 20 70 CDIDRO [NH3+]CCCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000160057666 364300765 /nfs/dbraw/zinc/30/07/65/364300765.db2.gz IGCQXPOBNOQWMV-CQSZACIVSA-N 1 0 279.359 1.255 20 70 CDIDRO CC(C)([NH3+])CNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000160079369 364304457 /nfs/dbraw/zinc/30/44/57/364304457.db2.gz KKGBGIFCTPXUHQ-UHFFFAOYSA-N 1 0 260.381 1.961 20 70 CDIDRO C[C@@H](CO)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160101264 364305472 /nfs/dbraw/zinc/30/54/72/364305472.db2.gz OOUWMJCXFGCSPU-GZBFAFLISA-N 1 0 291.395 1.329 20 70 CDIDRO C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160101385 364305509 /nfs/dbraw/zinc/30/55/09/364305509.db2.gz OOUWMJCXFGCSPU-KCQAQPDRSA-N 1 0 291.395 1.329 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000160164473 364314035 /nfs/dbraw/zinc/31/40/35/364314035.db2.gz RKSDOXATDGXMEU-UHFFFAOYSA-N 1 0 258.325 1.010 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000160435629 364352286 /nfs/dbraw/zinc/35/22/86/364352286.db2.gz IWCNHPVVCLOGSJ-GFCCVEGCSA-N 1 0 297.786 1.312 20 70 CDIDRO CCO[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000160487250 364362588 /nfs/dbraw/zinc/36/25/88/364362588.db2.gz QGIBAQGZPPZCSS-UONOGXRCSA-N 1 0 262.353 1.585 20 70 CDIDRO Cc1c(/C=C/C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cnn1C ZINC000160668304 364393173 /nfs/dbraw/zinc/39/31/73/364393173.db2.gz IIZYOYPNAKQDBX-VUUYWXRKSA-N 1 0 288.395 1.342 20 70 CDIDRO COC(=O)c1csc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000160872050 364422053 /nfs/dbraw/zinc/42/20/53/364422053.db2.gz KHWBYKULEUQKQP-UHFFFAOYSA-N 1 0 285.369 1.560 20 70 CDIDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(F)c1F ZINC000218388039 364882421 /nfs/dbraw/zinc/88/24/21/364882421.db2.gz PRAPGURXENFNEX-QWRGUYRKSA-N 1 0 281.306 1.716 20 70 CDIDRO Cc1nc(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)s1 ZINC000161337916 373461323 /nfs/dbraw/zinc/46/13/23/373461323.db2.gz XOJPENDPPVQODM-ZDUSSCGKSA-N 1 0 293.436 1.999 20 70 CDIDRO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000217754302 541983894 /nfs/dbraw/zinc/98/38/94/541983894.db2.gz WEGAQGJCAJBCGM-NILFDRSVSA-N 1 0 290.407 1.884 20 70 CDIDRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)[nH]1 ZINC000160546385 377084186 /nfs/dbraw/zinc/08/41/86/377084186.db2.gz BPWQOCULIOPVIP-LLVKDONJSA-N 1 0 279.384 1.764 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1cccnc1 ZINC000160521738 377084426 /nfs/dbraw/zinc/08/44/26/377084426.db2.gz FQNKTYPPHOQSEY-LLVKDONJSA-N 1 0 265.357 1.483 20 70 CDIDRO COCC[NH2+]CC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160548333 377084563 /nfs/dbraw/zinc/08/45/63/377084563.db2.gz FWJMTOPQCYVGHO-UHFFFAOYSA-N 1 0 296.798 1.724 20 70 CDIDRO COc1ccsc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160639542 377099549 /nfs/dbraw/zinc/09/95/49/377099549.db2.gz PUTJCSHWVHOWHJ-UHFFFAOYSA-N 1 0 298.408 1.191 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2cccnc2)C1 ZINC000160769894 533030861 /nfs/dbraw/zinc/03/08/61/533030861.db2.gz KFCAWISIPPNJGB-LBPRGKRZSA-N 1 0 263.341 1.061 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000159790213 139905247 /nfs/dbraw/zinc/90/52/47/139905247.db2.gz XURBAKUPRWHWKC-AWEZNQCLSA-N 1 0 286.416 1.404 20 70 CDIDRO CCc1ncnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1F ZINC000217998387 140164220 /nfs/dbraw/zinc/16/42/20/140164220.db2.gz NIAAEOVJXYZTND-MNOVXSKESA-N 1 0 280.347 1.453 20 70 CDIDRO CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)C1 ZINC000161314416 276223140 /nfs/dbraw/zinc/22/31/40/276223140.db2.gz VURZJUXMMUFTIA-KGLIPLIRSA-N 1 0 295.427 1.236 20 70 CDIDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000217532936 280088805 /nfs/dbraw/zinc/08/88/05/280088805.db2.gz ORNRNKPCGRNJJE-RYWCDNDXSA-N 1 0 288.347 1.626 20 70 CDIDRO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000159587194 292762312 /nfs/dbraw/zinc/76/23/12/292762312.db2.gz LWNNRGFJNLZIHG-YPMHNXCESA-N 1 0 254.374 1.450 20 70 CDIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ncccc2F)C1 ZINC000160912054 292796067 /nfs/dbraw/zinc/79/60/67/292796067.db2.gz BTBJNURYKVRKQX-NWDGAFQWSA-N 1 0 294.374 1.893 20 70 CDIDRO Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ncn1 ZINC000161469923 292806551 /nfs/dbraw/zinc/80/65/51/292806551.db2.gz ANEIADPGHOTHGT-UHFFFAOYSA-N 1 0 274.368 1.485 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000161261329 482473886 /nfs/dbraw/zinc/47/38/86/482473886.db2.gz NQGRARVNJDUQKJ-OLZOCXBDSA-N 1 0 272.352 1.422 20 70 CDIDRO CCCn1nccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000160144414 482786283 /nfs/dbraw/zinc/78/62/83/482786283.db2.gz WLPGMWZXUIKRBA-HNNXBMFYSA-N 1 0 273.380 1.986 20 70 CDIDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC(C)(C)CO ZINC000160164686 482787449 /nfs/dbraw/zinc/78/74/49/482787449.db2.gz AQZKCDNVLWFCAG-CQSZACIVSA-N 1 0 281.396 1.651 20 70 CDIDRO COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000160967194 482846467 /nfs/dbraw/zinc/84/64/67/482846467.db2.gz LOXHMJFXCSUKCB-SECBINFHSA-N 1 0 254.330 1.672 20 70 CDIDRO CCOC(=O)C1(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000161501875 520448703 /nfs/dbraw/zinc/44/87/03/520448703.db2.gz XWHMXDKPDHCPEV-QWHCGFSZSA-N 1 0 296.411 1.709 20 70 CDIDRO CCOC(=O)C1(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000161501616 520449120 /nfs/dbraw/zinc/44/91/20/520449120.db2.gz XWHMXDKPDHCPEV-STQMWFEESA-N 1 0 296.411 1.709 20 70 CDIDRO COC(=O)[C@H](O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161446103 523935223 /nfs/dbraw/zinc/93/52/23/523935223.db2.gz GUIGOSCFPJHGCZ-OAHLLOKOSA-N 1 0 298.427 1.108 20 70 CDIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067484 525679740 /nfs/dbraw/zinc/67/97/40/525679740.db2.gz YVGJIYXFIKDKMD-XBFCOCLRSA-N 1 0 250.390 1.944 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(c2cc(S(=O)(=O)F)ccn2)C1 ZINC001165038435 721899485 /nfs/dbraw/zinc/89/94/85/721899485.db2.gz QRBPHDMXGIRISD-SNVBAGLBSA-N 1 0 287.360 1.270 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)NC[C@](C)(O)CSC ZINC000159810119 361870340 /nfs/dbraw/zinc/87/03/40/361870340.db2.gz LNBSELQNSZHVTE-ZDUSSCGKSA-N 1 0 291.461 1.132 20 70 CDIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000159896230 361903004 /nfs/dbraw/zinc/90/30/04/361903004.db2.gz KBQAMUPWWHNIDA-BNOWGMLFSA-N 1 0 259.353 1.538 20 70 CDIDRO COc1cc(OC)nc(NCC2([NH+](C)C)CCCC2)n1 ZINC000161027478 539117138 /nfs/dbraw/zinc/11/71/38/539117138.db2.gz PCZMOOJWRFSARH-UHFFFAOYSA-N 1 0 280.372 1.780 20 70 CDIDRO Cc1cnccc1CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000160828895 362184746 /nfs/dbraw/zinc/18/47/46/362184746.db2.gz JNLHFYSELXXBDD-UHFFFAOYSA-N 1 0 290.411 1.574 20 70 CDIDRO Cc1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1F ZINC000159366161 362315377 /nfs/dbraw/zinc/31/53/77/362315377.db2.gz AAZJVNMYMUJCQO-UHFFFAOYSA-N 1 0 280.343 1.473 20 70 CDIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160620876 362456907 /nfs/dbraw/zinc/45/69/07/362456907.db2.gz WRQIMCRYCQCTPJ-SECBINFHSA-N 1 0 290.289 1.066 20 70 CDIDRO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)[NH+]1CCCCC1 ZINC000161278175 365970070 /nfs/dbraw/zinc/97/00/70/365970070.db2.gz IRNZBHOGIAWRKI-IHRRRGAJSA-N 1 0 268.401 1.527 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2cccc(OC(C)C)c2)C1 ZINC000160527508 188478704 /nfs/dbraw/zinc/47/87/04/188478704.db2.gz KPQXOELFOUYBLS-AWEZNQCLSA-N 1 0 276.380 1.837 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160351362 358504014 /nfs/dbraw/zinc/50/40/14/358504014.db2.gz WEXQRJGMJHSIDP-GJZGRUSLSA-N 1 0 297.443 1.926 20 70 CDIDRO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000160441751 358639517 /nfs/dbraw/zinc/63/95/17/358639517.db2.gz XSDXRXFELUIDGA-CVEARBPZSA-N 1 0 295.471 1.957 20 70 CDIDRO COC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC1 ZINC000161191256 358791194 /nfs/dbraw/zinc/79/11/94/358791194.db2.gz GMFWKMRABPSQBN-CQSZACIVSA-N 1 0 292.427 1.952 20 70 CDIDRO [NH3+]C1(CNC(=O)[C@H]2COc3ccccc3O2)CCCCC1 ZINC000159653540 283405916 /nfs/dbraw/zinc/40/59/16/283405916.db2.gz RAMJHJTXMVNBQJ-CQSZACIVSA-N 1 0 290.363 1.604 20 70 CDIDRO Cc1cccc([C@H](C)CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000160735978 237185763 /nfs/dbraw/zinc/18/57/63/237185763.db2.gz YYHPWTUDOKXWLS-UKRRQHHQSA-N 1 0 276.380 1.593 20 70 CDIDRO COc1cc(CN2CCC[C@@H]([NH3+])C2)cc2c1OCO2 ZINC000159978297 360183453 /nfs/dbraw/zinc/18/34/53/360183453.db2.gz CAMRRSWSLNMSJN-LLVKDONJSA-N 1 0 264.325 1.347 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000161066474 360555544 /nfs/dbraw/zinc/55/55/44/360555544.db2.gz PCHFILBMHOOURX-UHFFFAOYSA-N 1 0 290.411 1.609 20 70 CDIDRO [NH3+]C1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000159376043 361677424 /nfs/dbraw/zinc/67/74/24/361677424.db2.gz POZUVBVHMHFGCL-GMSGAONNSA-N 1 0 252.264 1.428 20 70 CDIDRO CC(=O)N1CCC[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159492455 361718293 /nfs/dbraw/zinc/71/82/93/361718293.db2.gz YUONWROTWGAKAI-CYBMUJFWSA-N 1 0 281.400 1.023 20 70 CDIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000159667405 364248887 /nfs/dbraw/zinc/24/88/87/364248887.db2.gz NXADZFQZMHMRRK-RISCZKNCSA-N 1 0 286.379 1.975 20 70 CDIDRO COCCOc1ccc([C@H](C)[NH2+]CCO)cc1OC ZINC000159693748 364253131 /nfs/dbraw/zinc/25/31/31/364253131.db2.gz CQCWSNLSLZXLQI-NSHDSACASA-N 1 0 269.341 1.363 20 70 CDIDRO Cc1ccc(C[C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)s1 ZINC000159793740 364265714 /nfs/dbraw/zinc/26/57/14/364265714.db2.gz KVFCFQXOWPYGHC-AAEUAGOBSA-N 1 0 296.436 1.872 20 70 CDIDRO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159818206 364270342 /nfs/dbraw/zinc/27/03/42/364270342.db2.gz WQFGPGWJAWRZPY-TUKIKUTGSA-N 1 0 276.380 1.224 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000159506849 364224156 /nfs/dbraw/zinc/22/41/56/364224156.db2.gz WCTUZDLWBVUOAI-DTWKUNHWSA-N 1 0 267.354 1.802 20 70 CDIDRO CC[C@H](C)OCC(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000160000605 364292797 /nfs/dbraw/zinc/29/27/97/364292797.db2.gz IEILLOZPKZIDCD-VIFPVBQESA-N 1 0 283.397 1.885 20 70 CDIDRO Cc1noc(-c2ccccc2C(=O)NCCC[NH3+])n1 ZINC000160108442 364307445 /nfs/dbraw/zinc/30/74/45/364307445.db2.gz XGLXXZVRMREMTK-UHFFFAOYSA-N 1 0 260.297 1.124 20 70 CDIDRO O=C(/C=C/c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160150514 364311888 /nfs/dbraw/zinc/31/18/88/364311888.db2.gz YKTCGHVFMCCTIT-ZNFPLGDCSA-N 1 0 288.391 1.663 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000160686482 364394392 /nfs/dbraw/zinc/39/43/92/364394392.db2.gz OPVGUGXNNPUTTR-RTXFEEFZSA-N 1 0 280.318 1.889 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C)C1 ZINC000160697063 364396892 /nfs/dbraw/zinc/39/68/92/364396892.db2.gz YZNKWSOXEVPXOS-ZDUSSCGKSA-N 1 0 284.363 1.615 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000160702133 364399019 /nfs/dbraw/zinc/39/90/19/364399019.db2.gz OVDSWKWXZWRRFF-CQSZACIVSA-N 1 0 289.379 1.715 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000160217379 377040701 /nfs/dbraw/zinc/04/07/01/377040701.db2.gz PFMWLEXBRREJRC-NSHDSACASA-N 1 0 278.356 1.219 20 70 CDIDRO COC[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161270529 377533506 /nfs/dbraw/zinc/53/35/06/377533506.db2.gz VFZISIQCEPJWMT-PSASIEDQSA-N 1 0 255.280 1.657 20 70 CDIDRO CNc1ccccc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161304734 377566871 /nfs/dbraw/zinc/56/68/71/377566871.db2.gz OCXHSVCUBHNBQH-LBPRGKRZSA-N 1 0 261.369 1.942 20 70 CDIDRO CCN(C)C(=O)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000217364910 392958997 /nfs/dbraw/zinc/95/89/97/392958997.db2.gz UNGNLBZORDIQLT-AWEZNQCLSA-N 1 0 262.353 1.838 20 70 CDIDRO CN(Cc1nc(-c2ccsc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160005367 147706258 /nfs/dbraw/zinc/70/62/58/147706258.db2.gz VTCMZTYTTJZFLP-NSHDSACASA-N 1 0 278.381 1.967 20 70 CDIDRO CO[C@H]1CCN(Cc2nccn2C(F)F)[C@H](C[NH3+])C1 ZINC000161175813 286059939 /nfs/dbraw/zinc/05/99/39/286059939.db2.gz SVKIMSNMLVYIPO-UWVGGRQHSA-N 1 0 274.315 1.216 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CNc1c(C)cccc1C ZINC000161384713 277283958 /nfs/dbraw/zinc/28/39/58/277283958.db2.gz LVUGGFIIJHNEII-CQSZACIVSA-N 1 0 275.396 1.926 20 70 CDIDRO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)C[NH3+] ZINC000159772789 292768971 /nfs/dbraw/zinc/76/89/71/292768971.db2.gz RPCAMXBOIQGQKK-GFCCVEGCSA-N 1 0 268.332 1.694 20 70 CDIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ncccc2F)C1 ZINC000160912456 292796010 /nfs/dbraw/zinc/79/60/10/292796010.db2.gz BTBJNURYKVRKQX-NEPJUHHUSA-N 1 0 294.374 1.893 20 70 CDIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000159894726 302167317 /nfs/dbraw/zinc/16/73/17/302167317.db2.gz HZVFZOPTGKDEPC-LZWOXQAQSA-N 1 0 288.391 1.688 20 70 CDIDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCOC(C)C ZINC000160214027 482788917 /nfs/dbraw/zinc/78/89/17/482788917.db2.gz MWNBCQFASDKOSC-CQSZACIVSA-N 1 0 267.369 1.749 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000160920626 482840871 /nfs/dbraw/zinc/84/08/71/482840871.db2.gz LVKMJNFEPGSLOJ-UWVGGRQHSA-N 1 0 254.280 1.965 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000160553492 519590010 /nfs/dbraw/zinc/59/00/10/519590010.db2.gz ZAQLLZZHQRZMMM-UHFFFAOYSA-N 1 0 297.443 1.387 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C(C)=O)cs2)C1 ZINC000160492069 522500802 /nfs/dbraw/zinc/50/08/02/522500802.db2.gz XXPHPLGCYHOFCB-JTQLQIEISA-N 1 0 252.339 1.385 20 70 CDIDRO COc1cc(NC(=O)C[C@H]2COCC[NH2+]2)ccc1F ZINC000160358654 522672036 /nfs/dbraw/zinc/67/20/36/522672036.db2.gz WPQRWHOBJPBACG-JTQLQIEISA-N 1 0 268.288 1.151 20 70 CDIDRO CC[C@](C)([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(N)=O ZINC000160660402 523484396 /nfs/dbraw/zinc/48/43/96/523484396.db2.gz MXCDFCIPVYCNPL-INIZCTEOSA-N 1 0 297.443 1.515 20 70 CDIDRO CO[C@H]1CCN(C(=O)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000161127106 523991037 /nfs/dbraw/zinc/99/10/37/523991037.db2.gz FPXJFSUPFRMBCG-KBPBESRZSA-N 1 0 262.353 1.194 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161158759 524690285 /nfs/dbraw/zinc/69/02/85/524690285.db2.gz IYTUSAAABDVSDW-XHDPSFHLSA-N 1 0 296.342 1.280 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542240 524816298 /nfs/dbraw/zinc/81/62/98/524816298.db2.gz WDOBCFAVHADSTE-NSHDSACASA-N 1 0 281.400 1.021 20 70 CDIDRO O=C(CCc1ccccc1)NCC1CC[NH+](CCO)CC1 ZINC000160662743 526609030 /nfs/dbraw/zinc/60/90/30/526609030.db2.gz VGPWOPZRIOGWJF-UHFFFAOYSA-N 1 0 290.407 1.440 20 70 CDIDRO CCCC[NH+]1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000161426673 528456852 /nfs/dbraw/zinc/45/68/52/528456852.db2.gz PVLWLENMTJBPSQ-MRXNPFEDSA-N 1 0 297.443 1.807 20 70 CDIDRO CCCc1noc(CCCC(=O)N2CC[C@H]([NH2+]C)C2)n1 ZINC000160753532 528782736 /nfs/dbraw/zinc/78/27/36/528782736.db2.gz NTSCPYOIEGVKJJ-NSHDSACASA-N 1 0 280.372 1.165 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000160513723 528925794 /nfs/dbraw/zinc/92/57/94/528925794.db2.gz AYXLULUZOKRBJL-UHFFFAOYSA-N 1 0 296.415 1.933 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000159997612 535514810 /nfs/dbraw/zinc/51/48/10/535514810.db2.gz XYNQYIJVQIAHTI-ZDUSSCGKSA-N 1 0 283.416 1.539 20 70 CDIDRO NC(=O)CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000159761671 361831977 /nfs/dbraw/zinc/83/19/77/361831977.db2.gz YZYUAPTZCGJOQA-UHFFFAOYSA-N 1 0 272.352 1.650 20 70 CDIDRO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160784316 539116849 /nfs/dbraw/zinc/11/68/49/539116849.db2.gz PVWIMOKWBZZIGL-OCCSQVGLSA-N 1 0 268.401 1.336 20 70 CDIDRO CCN(C(=O)[C@]1(F)CC[NH2+]C1)c1nc(C)cs1 ZINC000160178472 362047166 /nfs/dbraw/zinc/04/71/66/362047166.db2.gz QWYODDAEYCUHMR-NSHDSACASA-N 1 0 257.334 1.506 20 70 CDIDRO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159448120 362323918 /nfs/dbraw/zinc/32/39/18/362323918.db2.gz RKNAFSXHTKFWKZ-DYEKYZERSA-N 1 0 262.353 1.716 20 70 CDIDRO CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H](C[NH3+])C1CC1 ZINC000159836345 362374370 /nfs/dbraw/zinc/37/43/70/362374370.db2.gz DJTKWXNLHLEOEZ-SNVBAGLBSA-N 1 0 287.285 1.910 20 70 CDIDRO C[NH2+]CCC1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159871458 362377107 /nfs/dbraw/zinc/37/71/07/362377107.db2.gz LJJJTBCKZIWBJB-SNVBAGLBSA-N 1 0 295.349 1.375 20 70 CDIDRO CCOCCC1(CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000159567022 362438307 /nfs/dbraw/zinc/43/83/07/362438307.db2.gz DDLAXUVKLVNESK-UHFFFAOYSA-N 1 0 283.416 1.587 20 70 CDIDRO CCCCn1ncc(C(=O)NCC[NH+](C)C)c1C ZINC000160974736 362580714 /nfs/dbraw/zinc/58/07/14/362580714.db2.gz LPSGXKMLGOEQAX-UHFFFAOYSA-N 1 0 252.362 1.283 20 70 CDIDRO COCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000160947023 362566387 /nfs/dbraw/zinc/56/63/87/362566387.db2.gz MNAUNAFRYLQQBF-KGLIPLIRSA-N 1 0 297.443 1.785 20 70 CDIDRO CN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160653992 346188401 /nfs/dbraw/zinc/18/84/01/346188401.db2.gz ZNAVCXYEHWDSEF-HNNXBMFYSA-N 1 0 288.395 1.707 20 70 CDIDRO CCN(Cc1cnn(C)c1)Cc1ccoc1C(=O)OC ZINC000161108032 362675499 /nfs/dbraw/zinc/67/54/99/362675499.db2.gz VLQLODOPIDROJS-UHFFFAOYSA-N 1 0 277.324 1.822 20 70 CDIDRO CCC(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000160656619 188484998 /nfs/dbraw/zinc/48/49/98/188484998.db2.gz QRNIPBYOZWVPQX-CYBMUJFWSA-N 1 0 275.352 1.469 20 70 CDIDRO CC[C@@H]([NH2+]CCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160899514 188497449 /nfs/dbraw/zinc/49/74/49/188497449.db2.gz AGFGIROBNLZIIB-CYBMUJFWSA-N 1 0 293.342 1.808 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000161220172 188515574 /nfs/dbraw/zinc/51/55/74/188515574.db2.gz VWNHZJFEHYDAOM-GPANFISMSA-N 1 0 276.380 1.757 20 70 CDIDRO CC(C)C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000159846125 363378174 /nfs/dbraw/zinc/37/81/74/363378174.db2.gz KWVOFVFTAMFQPU-ZIAGYGMSSA-N 1 0 284.448 1.356 20 70 CDIDRO C[C@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000159855735 363380604 /nfs/dbraw/zinc/38/06/04/363380604.db2.gz NMFUNRDMWJLECS-JSGCOSHPSA-N 1 0 295.427 1.680 20 70 CDIDRO COC(=O)[C@H]1C[C@@H](OC)CN1CCC[NH+]1CCCCC1 ZINC000161355723 358799762 /nfs/dbraw/zinc/79/97/62/358799762.db2.gz PXDMLWVJOIZLIU-ZIAGYGMSSA-N 1 0 284.400 1.125 20 70 CDIDRO OCCn1nccc1C1CC[NH+](CCOCC2CC2)CC1 ZINC000160073854 237166278 /nfs/dbraw/zinc/16/62/78/237166278.db2.gz ZQPVVPFIBASFAS-UHFFFAOYSA-N 1 0 293.411 1.481 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000160957674 360102223 /nfs/dbraw/zinc/10/22/23/360102223.db2.gz XPUDTSUBBCJCOZ-LLVKDONJSA-N 1 0 292.383 1.252 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963975 360215363 /nfs/dbraw/zinc/21/53/63/360215363.db2.gz DDCMSENIYQJGKG-HUUCEWRRSA-N 1 0 294.395 1.751 20 70 CDIDRO O=C(CSC[C@H]1CCCCO1)N1CCC[NH2+]CC1 ZINC000160861401 361457519 /nfs/dbraw/zinc/45/75/19/361457519.db2.gz FJTSTRZFOSZXQF-GFCCVEGCSA-N 1 0 272.414 1.111 20 70 CDIDRO CS(=O)(=O)NCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000218086755 364002231 /nfs/dbraw/zinc/00/22/31/364002231.db2.gz BBXWNMZMLNILFR-UHFFFAOYSA-N 1 0 281.381 1.197 20 70 CDIDRO Cc1ccc(-c2ocnc2C(=O)N2CC[NH2+]CC2)cc1 ZINC000159393260 364198733 /nfs/dbraw/zinc/19/87/33/364198733.db2.gz KIFIQTFMOAHEIF-UHFFFAOYSA-N 1 0 271.320 1.695 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000159470868 364213283 /nfs/dbraw/zinc/21/32/83/364213283.db2.gz FIADETZQZGOVNW-NEPJUHHUSA-N 1 0 250.342 1.004 20 70 CDIDRO O=C(NCCC[NH+]1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000159655937 364247195 /nfs/dbraw/zinc/24/71/95/364247195.db2.gz IOTMYIGJGRFTNG-UHFFFAOYSA-N 1 0 277.368 1.371 20 70 CDIDRO CC1CC[NH+](CCNC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000159518406 364226690 /nfs/dbraw/zinc/22/66/90/364226690.db2.gz QPHYSUOOAUUNBU-HNNXBMFYSA-N 1 0 276.380 1.568 20 70 CDIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC)nn1 ZINC000160246072 364324890 /nfs/dbraw/zinc/32/48/90/364324890.db2.gz JAFUKPBQCVTNEP-GFCCVEGCSA-N 1 0 292.383 1.480 20 70 CDIDRO Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1F ZINC000160320384 364334480 /nfs/dbraw/zinc/33/44/80/364334480.db2.gz ROJGXPGSJCOFCR-CYBMUJFWSA-N 1 0 294.370 1.711 20 70 CDIDRO CSc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000160035272 364297358 /nfs/dbraw/zinc/29/73/58/364297358.db2.gz KCWQQEYGGRIKQS-LLVKDONJSA-N 1 0 298.408 1.578 20 70 CDIDRO CCCOC(=O)[C@@H](C)N(CC)Cc1cnn(C)c1 ZINC000160097590 364305985 /nfs/dbraw/zinc/30/59/85/364305985.db2.gz SFCPRCMTGVJSFH-LLVKDONJSA-N 1 0 253.346 1.584 20 70 CDIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)c1ccc(F)cc1F ZINC000161041085 364440806 /nfs/dbraw/zinc/44/08/06/364440806.db2.gz NFNHMBRYPGPWIJ-PELKAZGASA-N 1 0 299.321 1.850 20 70 CDIDRO CCCn1nc(C)c(C(=O)NCC(C)(C)[NH+](C)C)c1C ZINC000161422373 364490344 /nfs/dbraw/zinc/49/03/44/364490344.db2.gz FGCMFEBBUDXGIH-UHFFFAOYSA-N 1 0 280.416 1.980 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000161252072 368015648 /nfs/dbraw/zinc/01/56/48/368015648.db2.gz PHFJUWRCNKLDIB-NEPJUHHUSA-N 1 0 272.389 1.062 20 70 CDIDRO Cn1nc(CNC[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000218141221 375794789 /nfs/dbraw/zinc/79/47/89/375794789.db2.gz LQVKYINUQHZYBK-GFCCVEGCSA-N 1 0 258.369 1.757 20 70 CDIDRO C[NH+]1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161230364 377198963 /nfs/dbraw/zinc/19/89/63/377198963.db2.gz XLFXKKADZDIGRW-GFCCVEGCSA-N 1 0 271.405 1.177 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3ccc(OC)cc3nc2C)C1 ZINC000160471938 533037404 /nfs/dbraw/zinc/03/74/04/533037404.db2.gz OOAKUONNIWGXJM-ZDUSSCGKSA-N 1 0 299.374 1.986 20 70 CDIDRO COC[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160784552 285212076 /nfs/dbraw/zinc/21/20/76/285212076.db2.gz QLFNYHHTVZAKKI-UKRRQHHQSA-N 1 0 276.380 1.975 20 70 CDIDRO CCCCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159373307 390939700 /nfs/dbraw/zinc/93/97/00/390939700.db2.gz ITVYWCDSUBDRJK-HNNXBMFYSA-N 1 0 281.444 1.981 20 70 CDIDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000159981357 139908595 /nfs/dbraw/zinc/90/85/95/139908595.db2.gz RJRWTAFKUDLMFF-LLVKDONJSA-N 1 0 264.325 1.218 20 70 CDIDRO CCOCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000160392361 286056761 /nfs/dbraw/zinc/05/67/61/286056761.db2.gz FZIMTQUXRDOPJP-CQSZACIVSA-N 1 0 284.400 1.126 20 70 CDIDRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC[C@@H]([NH3+])C2)[C@@H]1C ZINC000217520260 287402105 /nfs/dbraw/zinc/40/21/05/287402105.db2.gz NBMCWPWVLSKLGM-AAVRWANBSA-N 1 0 267.417 1.350 20 70 CDIDRO CC[C@H](C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)[NH+](C)C ZINC000159777643 287504199 /nfs/dbraw/zinc/50/41/99/287504199.db2.gz BYSNUERJDLCHQK-FDYHWXHSSA-N 1 0 254.374 1.400 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000160621868 276349564 /nfs/dbraw/zinc/34/95/64/276349564.db2.gz GBZJTCLCPXLVNA-HZSPNIEDSA-N 1 0 280.412 1.792 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159703226 276777514 /nfs/dbraw/zinc/77/75/14/276777514.db2.gz PQPHNIPLGMSMNM-GJZGRUSLSA-N 1 0 276.380 1.975 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000160477753 277296086 /nfs/dbraw/zinc/29/60/86/277296086.db2.gz VSAXSVIDQAWKCC-DGCLKSJQSA-N 1 0 294.782 1.711 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000160478010 277296107 /nfs/dbraw/zinc/29/61/07/277296107.db2.gz VSAXSVIDQAWKCC-WCQYABFASA-N 1 0 294.782 1.711 20 70 CDIDRO CC(C)CN(CC(C)C)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160057110 278841689 /nfs/dbraw/zinc/84/16/89/278841689.db2.gz DBUFENKFJBRCHX-HNNXBMFYSA-N 1 0 283.460 1.796 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000217288538 280088365 /nfs/dbraw/zinc/08/83/65/280088365.db2.gz VMLDUTPEDIGQAZ-ZDUSSCGKSA-N 1 0 298.431 1.027 20 70 CDIDRO CCOCCC1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000159483189 292760437 /nfs/dbraw/zinc/76/04/37/292760437.db2.gz ABJJOYCFRNCUKH-GFCCVEGCSA-N 1 0 256.390 1.650 20 70 CDIDRO C[NH+](C)CC(C)(C)CNC(=O)CCC(=O)NC1CCCC1 ZINC000160335416 292784551 /nfs/dbraw/zinc/78/45/51/292784551.db2.gz TZYPUXPWMVCOAA-UHFFFAOYSA-N 1 0 297.443 1.529 20 70 CDIDRO COCCC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000160785692 482825306 /nfs/dbraw/zinc/82/53/06/482825306.db2.gz UBZYAUZMPYXCAU-OLZOCXBDSA-N 1 0 268.401 1.969 20 70 CDIDRO CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160879429 482834974 /nfs/dbraw/zinc/83/49/74/482834974.db2.gz KQKREULNWUWBFJ-VXGBXAGGSA-N 1 0 283.416 1.315 20 70 CDIDRO CC(C)(C[NH3+])C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000161429410 519231846 /nfs/dbraw/zinc/23/18/46/519231846.db2.gz YZGMNQGGUKOZIP-MNOVXSKESA-N 1 0 256.415 1.858 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000160400933 519848514 /nfs/dbraw/zinc/84/85/14/519848514.db2.gz PAMIGOGYVBTNJH-CQSZACIVSA-N 1 0 268.401 1.890 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160367191 522824485 /nfs/dbraw/zinc/82/44/85/522824485.db2.gz CFEVKQLNNQJJED-LSDHHAIUSA-N 1 0 295.427 1.681 20 70 CDIDRO Cc1cccc(C(=O)NCCCN2CC[NH2+]CC2)c1Cl ZINC000160387596 524192172 /nfs/dbraw/zinc/19/21/72/524192172.db2.gz YOOOOOJDUVJWIL-UHFFFAOYSA-N 1 0 295.814 1.674 20 70 CDIDRO CSCCCCNC(=O)[C@H]([NH3+])CCSC ZINC000161203976 525436189 /nfs/dbraw/zinc/43/61/89/525436189.db2.gz JSWDBDMUXISMEO-SECBINFHSA-N 1 0 250.433 1.326 20 70 CDIDRO CCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160738650 527920517 /nfs/dbraw/zinc/92/05/17/527920517.db2.gz CVIZDIZPEBGNIE-UONOGXRCSA-N 1 0 268.401 1.671 20 70 CDIDRO CC1(C)CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000161044737 528926084 /nfs/dbraw/zinc/92/60/84/528926084.db2.gz GLNVJWQJJVZKDY-CYBMUJFWSA-N 1 0 268.401 1.794 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000159470447 535516408 /nfs/dbraw/zinc/51/64/08/535516408.db2.gz KBZLPNUOQKMYCT-HUUCEWRRSA-N 1 0 297.443 1.975 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000159470586 535517813 /nfs/dbraw/zinc/51/78/13/535517813.db2.gz KBZLPNUOQKMYCT-LSDHHAIUSA-N 1 0 297.443 1.975 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cncs1)CC2 ZINC000160401918 282127539 /nfs/dbraw/zinc/12/75/39/282127539.db2.gz MFVOZIQKSQCMQT-PSASIEDQSA-N 1 0 263.370 1.709 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161149128 361888744 /nfs/dbraw/zinc/88/87/44/361888744.db2.gz ONPXTAGHQWQVLA-GHMZBOCLSA-N 1 0 268.332 1.565 20 70 CDIDRO COc1cccc([C@@H](C)C(=O)NCC(C)(C)[NH3+])c1 ZINC000159964389 361976343 /nfs/dbraw/zinc/97/63/43/361976343.db2.gz POVKWDSKFUXXIS-SNVBAGLBSA-N 1 0 250.342 1.652 20 70 CDIDRO CCN(CC)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161308953 539117512 /nfs/dbraw/zinc/11/75/12/539117512.db2.gz OWDBRTLYNNKDIN-UHFFFAOYSA-N 1 0 276.384 1.072 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000161088305 362042202 /nfs/dbraw/zinc/04/22/02/362042202.db2.gz JLEQMMLVKXVJJG-GUTXKFCHSA-N 1 0 276.380 1.831 20 70 CDIDRO Cn1cnc2cc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cnc21 ZINC000160171014 362043702 /nfs/dbraw/zinc/04/37/02/362043702.db2.gz HIJXZCDVEJEWSX-ZDUSSCGKSA-N 1 0 287.367 1.038 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159894741 342370924 /nfs/dbraw/zinc/37/09/24/342370924.db2.gz JLRURPFSWVBLLO-GFCCVEGCSA-N 1 0 277.368 1.518 20 70 CDIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159553960 362303909 /nfs/dbraw/zinc/30/39/09/362303909.db2.gz FSRSOYBUCSTCKH-CQSZACIVSA-N 1 0 289.379 1.296 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000159443713 362322111 /nfs/dbraw/zinc/32/21/11/362322111.db2.gz QTQWPRVBUIFEAK-UONOGXRCSA-N 1 0 278.352 1.236 20 70 CDIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161364700 362799091 /nfs/dbraw/zinc/79/90/91/362799091.db2.gz CUXXNZAJNKEQHP-SKDRFNHKSA-N 1 0 265.357 1.338 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159616813 363066560 /nfs/dbraw/zinc/06/65/60/363066560.db2.gz MQQJDGZMLDGLHY-NWDGAFQWSA-N 1 0 273.446 1.912 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000160485923 188475093 /nfs/dbraw/zinc/47/50/93/188475093.db2.gz IOHZPHJLDOVSRM-QMMMGPOBSA-N 1 0 289.198 1.945 20 70 CDIDRO CC(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OC(C)C ZINC000160147636 535321929 /nfs/dbraw/zinc/32/19/29/535321929.db2.gz TWHVNDFYSFDFPK-STQMWFEESA-N 1 0 284.400 1.469 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCOC2CCOCC2)C1 ZINC000160940675 356685330 /nfs/dbraw/zinc/68/53/30/356685330.db2.gz JOAANSMIIUWXOG-QWHCGFSZSA-N 1 0 284.400 1.206 20 70 CDIDRO O=C(c1ncoc1[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160597610 237182180 /nfs/dbraw/zinc/18/21/80/237182180.db2.gz XERZQPGQSATXFK-TUAOUCFPSA-N 1 0 291.351 1.493 20 70 CDIDRO CCOC(=O)NCCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160135449 363683201 /nfs/dbraw/zinc/68/32/01/363683201.db2.gz GMTUHGPGKVWFDL-LBPRGKRZSA-N 1 0 297.399 1.113 20 70 CDIDRO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000160836977 361319056 /nfs/dbraw/zinc/31/90/56/361319056.db2.gz JBTSHVFOFIOWNL-NEPJUHHUSA-N 1 0 286.297 1.886 20 70 CDIDRO CN1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H](C[NH3+])C1 ZINC000160209024 363757994 /nfs/dbraw/zinc/75/79/94/363757994.db2.gz LYQOWFZPQJAFTO-CGAUPDFVSA-N 1 0 291.439 1.160 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCO)CSC ZINC000160275065 363805554 /nfs/dbraw/zinc/80/55/54/363805554.db2.gz RPVMXPHXOQWUIH-LSDHHAIUSA-N 1 0 283.437 1.948 20 70 CDIDRO C[C@@H](O)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000159491943 364218662 /nfs/dbraw/zinc/21/86/62/364218662.db2.gz NXEFADOTGUUCRH-BMFZPTHFSA-N 1 0 290.407 1.752 20 70 CDIDRO C[N@@H+](Cc1cn2cccnc2n1)C[C@H]1CCC[C@@H]1O ZINC000159848870 364273457 /nfs/dbraw/zinc/27/34/57/364273457.db2.gz PRPUWWALRMNWMX-YPMHNXCESA-N 1 0 260.341 1.322 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000159506715 364224148 /nfs/dbraw/zinc/22/41/48/364224148.db2.gz WCTUZDLWBVUOAI-RKDXNWHRSA-N 1 0 267.354 1.802 20 70 CDIDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC000160311656 364333313 /nfs/dbraw/zinc/33/33/13/364333313.db2.gz UCSFIUKAPXUHGE-SECBINFHSA-N 1 0 286.278 1.470 20 70 CDIDRO COCCC[N@H+](C)CCNC(=O)c1ccnn1C(C)C ZINC000160007594 364294595 /nfs/dbraw/zinc/29/45/95/364294595.db2.gz HMOJQGBJXJEVKL-UHFFFAOYSA-N 1 0 282.388 1.162 20 70 CDIDRO COc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)nn1 ZINC000160043856 364299116 /nfs/dbraw/zinc/29/91/16/364299116.db2.gz DGOADKUDBZWARJ-NSHDSACASA-N 1 0 280.372 1.191 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cn1 ZINC000160460997 364355916 /nfs/dbraw/zinc/35/59/16/364355916.db2.gz POQYKISCLBYJRZ-ZWNOBZJWSA-N 1 0 274.372 1.469 20 70 CDIDRO CC(C)[C@H](CO)[NH2+]Cc1cncc(Br)c1 ZINC000160586759 364379177 /nfs/dbraw/zinc/37/91/77/364379177.db2.gz GQDQSALQKOYADB-NSHDSACASA-N 1 0 273.174 1.951 20 70 CDIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000160697834 364397094 /nfs/dbraw/zinc/39/70/94/364397094.db2.gz LNRGNSNCAIPHAX-WFASDCNBSA-N 1 0 274.364 1.321 20 70 CDIDRO COC(=O)N(C)Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000160950623 364432717 /nfs/dbraw/zinc/43/27/17/364432717.db2.gz JFHIVTWWJWXERO-SECBINFHSA-N 1 0 265.313 1.171 20 70 CDIDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CC(OC)OC ZINC000160890101 364423621 /nfs/dbraw/zinc/42/36/21/364423621.db2.gz XJPDDGIBSFBIMN-UHFFFAOYSA-N 1 0 294.395 1.829 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161409486 373569231 /nfs/dbraw/zinc/56/92/31/373569231.db2.gz OEYRUGCFPZTVNX-GFCCVEGCSA-N 1 0 281.331 1.593 20 70 CDIDRO CCOC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160067437 376999355 /nfs/dbraw/zinc/99/93/55/376999355.db2.gz UJICDNMLHRNHPY-RYUDHWBXSA-N 1 0 274.430 1.342 20 70 CDIDRO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000160333449 377057027 /nfs/dbraw/zinc/05/70/27/377057027.db2.gz XVIJYNKZMUHKBH-LBPRGKRZSA-N 1 0 269.389 1.733 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccs1 ZINC000160610821 377097224 /nfs/dbraw/zinc/09/72/24/377097224.db2.gz BPKOXOQCTSSVTF-UHFFFAOYSA-N 1 0 268.382 1.182 20 70 CDIDRO CCN(CCC[NH+]1CCCCC1)[C@@H](C)CS(C)(=O)=O ZINC000161094134 284897073 /nfs/dbraw/zinc/89/70/73/284897073.db2.gz SAHSYWVPHNFIAD-AWEZNQCLSA-N 1 0 290.473 1.617 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159941170 391695762 /nfs/dbraw/zinc/69/57/62/391695762.db2.gz KQOHZPRZBBBVNI-AAEUAGOBSA-N 1 0 293.342 1.127 20 70 CDIDRO COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160122806 139909065 /nfs/dbraw/zinc/90/90/65/139909065.db2.gz AXZIBIULWXGEKW-AWEZNQCLSA-N 1 0 291.395 1.611 20 70 CDIDRO CCc1nnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc1CC ZINC000218136544 140164625 /nfs/dbraw/zinc/16/46/25/140164625.db2.gz QVWJTCRQAUNCSO-MNOVXSKESA-N 1 0 263.389 1.418 20 70 CDIDRO CCN(C(=O)C[C@H]1CCC[NH2+]1)c1nc(C)cs1 ZINC000160178067 147711470 /nfs/dbraw/zinc/71/14/70/147711470.db2.gz XKWSPLFHVORXBT-SNVBAGLBSA-N 1 0 253.371 1.947 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000161103698 277273172 /nfs/dbraw/zinc/27/31/72/277273172.db2.gz NEUVGXDWRSPFLX-NXEZZACHSA-N 1 0 266.316 1.795 20 70 CDIDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOCC2CC2)C[C@@H](C)O1 ZINC000159635652 288191898 /nfs/dbraw/zinc/19/18/98/288191898.db2.gz LYMGYAVNSXCRIW-INMHGKMJSA-N 1 0 296.455 1.987 20 70 CDIDRO CC[C@@H](COC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161012855 280153007 /nfs/dbraw/zinc/15/30/07/280153007.db2.gz KPJOPTHVWMWZQS-ZDUSSCGKSA-N 1 0 280.368 1.326 20 70 CDIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000159973801 292775055 /nfs/dbraw/zinc/77/50/55/292775055.db2.gz WWVIICYWRDTCSQ-CYBMUJFWSA-N 1 0 295.358 1.104 20 70 CDIDRO CCCn1c(C)nnc1CN(C)C1CC[NH+](CC)CC1 ZINC000160504685 292788606 /nfs/dbraw/zinc/78/86/06/292788606.db2.gz UZFAPKRRQVOZSN-UHFFFAOYSA-N 1 0 279.432 1.913 20 70 CDIDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000160821309 292794621 /nfs/dbraw/zinc/79/46/21/292794621.db2.gz YZIWVAIUFJEZOG-WCQYABFASA-N 1 0 288.351 1.778 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000160811744 482828104 /nfs/dbraw/zinc/82/81/04/482828104.db2.gz UNKBWXFIEYGZFM-ZIAGYGMSSA-N 1 0 295.427 1.459 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000160842426 482830641 /nfs/dbraw/zinc/83/06/41/482830641.db2.gz TYJJNGCZNLWKTC-KBPBESRZSA-N 1 0 295.427 1.459 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000160847238 482832954 /nfs/dbraw/zinc/83/29/54/482832954.db2.gz JTPNKKOERKUMBC-STQMWFEESA-N 1 0 285.351 1.267 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC000160971557 482846668 /nfs/dbraw/zinc/84/66/68/482846668.db2.gz DYRJNRZUEGJVBY-RKDXNWHRSA-N 1 0 254.280 1.965 20 70 CDIDRO CCCNC(=O)CCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161055925 482857524 /nfs/dbraw/zinc/85/75/24/482857524.db2.gz HKDIHECBSBFJTD-NWDGAFQWSA-N 1 0 269.389 1.069 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COCCc2ccccc2)C1 ZINC000161272443 482872541 /nfs/dbraw/zinc/87/25/41/482872541.db2.gz SPTKLFHMSUBHAD-LSDHHAIUSA-N 1 0 276.380 1.632 20 70 CDIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000161443662 482877666 /nfs/dbraw/zinc/87/76/66/482877666.db2.gz OLJMJPRYOCQQMS-UONOGXRCSA-N 1 0 299.378 1.575 20 70 CDIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1-n1cncn1 ZINC000161444067 482878133 /nfs/dbraw/zinc/87/81/33/482878133.db2.gz OLJMJPRYOCQQMS-KGLIPLIRSA-N 1 0 299.378 1.575 20 70 CDIDRO CCCCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160660112 520237328 /nfs/dbraw/zinc/23/73/28/520237328.db2.gz DQPIGABOIGQADV-BETUJISGSA-N 1 0 254.374 1.546 20 70 CDIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159459399 520675961 /nfs/dbraw/zinc/67/59/61/520675961.db2.gz OWKOKLCMWVJTPH-KGLIPLIRSA-N 1 0 283.416 1.585 20 70 CDIDRO CC1CCN(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000160515002 520981758 /nfs/dbraw/zinc/98/17/58/520981758.db2.gz UVBXXAQTKYWERL-CYBMUJFWSA-N 1 0 253.390 1.864 20 70 CDIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000161510576 521129523 /nfs/dbraw/zinc/12/95/23/521129523.db2.gz GAELBVIAHSVUKX-QWHCGFSZSA-N 1 0 283.416 1.091 20 70 CDIDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778414 522635227 /nfs/dbraw/zinc/63/52/27/522635227.db2.gz NOPKNWOEAQCSLD-HZSPNIEDSA-N 1 0 262.353 1.760 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)CC1CC[NH2+]CC1 ZINC000160353716 522710393 /nfs/dbraw/zinc/71/03/93/522710393.db2.gz MMXZMYWWVJETEP-UHFFFAOYSA-N 1 0 268.401 1.651 20 70 CDIDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778293 522854789 /nfs/dbraw/zinc/85/47/89/522854789.db2.gz NOPKNWOEAQCSLD-BFHYXJOUSA-N 1 0 262.353 1.760 20 70 CDIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000161428786 523061821 /nfs/dbraw/zinc/06/18/21/523061821.db2.gz JGJFKTXIRYRSCM-NWDGAFQWSA-N 1 0 252.358 1.694 20 70 CDIDRO Cc1noc([C@@H]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000161265112 526652612 /nfs/dbraw/zinc/65/26/12/526652612.db2.gz NHAKEAKQCQFWIL-DOMZBBRYSA-N 1 0 292.383 1.474 20 70 CDIDRO CC(C)(CNC(=O)[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC000161409592 527155488 /nfs/dbraw/zinc/15/54/88/527155488.db2.gz FOSSSZIQZONWNU-CYBMUJFWSA-N 1 0 268.401 1.936 20 70 CDIDRO CN1C(=O)CC[C@H]([NH2+]C/C=C\c2ccccc2)C1=O ZINC000217502326 536309637 /nfs/dbraw/zinc/30/96/37/536309637.db2.gz YOTYHDQJDWPNBT-UJZCVKTISA-N 1 0 258.321 1.437 20 70 CDIDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159590082 361737532 /nfs/dbraw/zinc/73/75/32/361737532.db2.gz LWTLUCYZHLGARK-STQMWFEESA-N 1 0 269.389 1.195 20 70 CDIDRO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC000159627154 361758003 /nfs/dbraw/zinc/75/80/03/361758003.db2.gz HJRRYTBWZYFEMA-OLZOCXBDSA-N 1 0 283.416 1.090 20 70 CDIDRO C[C@H](CNC(=O)Cc1cccc(N)c1)[NH+]1CCCC1 ZINC000160718398 342073098 /nfs/dbraw/zinc/07/30/98/342073098.db2.gz DGCYQZXCCXQOMG-GFCCVEGCSA-N 1 0 261.369 1.412 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160926233 361870752 /nfs/dbraw/zinc/87/07/52/361870752.db2.gz GZZWBCDEYSXONE-JSGCOSHPSA-N 1 0 289.379 1.072 20 70 CDIDRO COC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000159885062 539114989 /nfs/dbraw/zinc/11/49/89/539114989.db2.gz SGUMKWAUFKHKFD-CQSZACIVSA-N 1 0 299.436 1.657 20 70 CDIDRO CCCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160261320 362085798 /nfs/dbraw/zinc/08/57/98/362085798.db2.gz BJBFJMFVGNADPN-MJBXVCDLSA-N 1 0 293.411 1.130 20 70 CDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1nncn1Cc1ccccc1 ZINC000159634707 342367641 /nfs/dbraw/zinc/36/76/41/342367641.db2.gz PNKSXDRHCWURDF-CYBMUJFWSA-N 1 0 285.351 1.407 20 70 CDIDRO CC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160888904 362196359 /nfs/dbraw/zinc/19/63/59/362196359.db2.gz FVCREILIOQMHES-KGLIPLIRSA-N 1 0 295.427 1.824 20 70 CDIDRO CN(C(=O)c1ccc(F)c(F)c1F)[C@H](C[NH3+])C1CC1 ZINC000159889015 362378035 /nfs/dbraw/zinc/37/80/35/362378035.db2.gz JBSXLAZPWXPKDM-SNVBAGLBSA-N 1 0 272.270 1.913 20 70 CDIDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1C ZINC000159929791 362380310 /nfs/dbraw/zinc/38/03/10/362380310.db2.gz IHRZKTVKIOCOBC-CQSZACIVSA-N 1 0 282.409 1.661 20 70 CDIDRO CN(Cc1cccs1)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160053341 362391286 /nfs/dbraw/zinc/39/12/86/362391286.db2.gz GJPXDMLPKVHVMF-ZDUSSCGKSA-N 1 0 281.425 1.376 20 70 CDIDRO CCCN(Cc1ccc(CO)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161098959 362588286 /nfs/dbraw/zinc/58/82/86/362588286.db2.gz BXIOYPDPZISXQH-LLVKDONJSA-N 1 0 287.381 1.171 20 70 CDIDRO C[C@H](C1CC1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160716354 346221144 /nfs/dbraw/zinc/22/11/44/346221144.db2.gz SORLFPNESADPSQ-BXUZGUMPSA-N 1 0 265.401 1.911 20 70 CDIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCOC1 ZINC000161118533 362675694 /nfs/dbraw/zinc/67/56/94/362675694.db2.gz YEUFYMCCWKINAE-WCQYABFASA-N 1 0 263.337 1.972 20 70 CDIDRO CC1(C)CC(NC(=O)N2CCC[C@](C)(O)C2)CC(C)(C)[NH2+]1 ZINC000159659903 363140389 /nfs/dbraw/zinc/14/03/89/363140389.db2.gz ATXPWAOGQVLNAI-INIZCTEOSA-N 1 0 297.443 1.852 20 70 CDIDRO O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000159449143 295866607 /nfs/dbraw/zinc/86/66/07/295866607.db2.gz UHDONCUEOHJDIU-JYJNAYRXSA-N 1 0 288.391 1.502 20 70 CDIDRO Cc1ccccc1OCCCC(=O)NCCC[NH3+] ZINC000160167344 188458496 /nfs/dbraw/zinc/45/84/96/188458496.db2.gz FPIJHXNECPNOCS-UHFFFAOYSA-N 1 0 250.342 1.619 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000160203821 188460473 /nfs/dbraw/zinc/46/04/73/188460473.db2.gz BDRUMZAKXWFQPI-HIFRSBDPSA-N 1 0 290.363 1.418 20 70 CDIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000160554239 358738869 /nfs/dbraw/zinc/73/88/69/358738869.db2.gz PYTFGXDEPQTFMV-QWHCGFSZSA-N 1 0 284.400 1.709 20 70 CDIDRO COCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161053542 358783433 /nfs/dbraw/zinc/78/34/33/358783433.db2.gz YVUAEEFVEZWSGQ-CQSZACIVSA-N 1 0 295.427 1.683 20 70 CDIDRO COc1ccccc1CNC(=O)NCC[NH+](C)C ZINC000217313914 358994256 /nfs/dbraw/zinc/99/42/56/358994256.db2.gz BLJSDUZDCKEEPK-UHFFFAOYSA-N 1 0 251.330 1.056 20 70 CDIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)C(C)(C)[NH3+])cc1 ZINC000160970868 360216697 /nfs/dbraw/zinc/21/66/97/360216697.db2.gz YGMRHGAHOBZKRO-ZDUSSCGKSA-N 1 0 278.396 1.871 20 70 CDIDRO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159530219 361731685 /nfs/dbraw/zinc/73/16/85/361731685.db2.gz PBNLHSMSFJNYFM-CHWSQXEVSA-N 1 0 264.369 1.312 20 70 CDIDRO Cc1nc(COc2ccc(NC(=O)[C@H](C)[NH3+])cc2)no1 ZINC000159474442 364213535 /nfs/dbraw/zinc/21/35/35/364213535.db2.gz YHENQCSSVJIQSE-QMMMGPOBSA-N 1 0 276.296 1.243 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503161 364221208 /nfs/dbraw/zinc/22/12/08/364221208.db2.gz NTZVSLBAIDOVQM-NSHDSACASA-N 1 0 291.380 1.491 20 70 CDIDRO C[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744969 364260938 /nfs/dbraw/zinc/26/09/38/364260938.db2.gz HCZHZWYXDHZXTF-CABZTGNLSA-N 1 0 295.770 1.251 20 70 CDIDRO CC(=O)c1cnc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000159506578 364223651 /nfs/dbraw/zinc/22/36/51/364223651.db2.gz WCTUZDLWBVUOAI-IUCAKERBSA-N 1 0 267.354 1.802 20 70 CDIDRO COCCN(CCC(=O)c1ccc(C)cc1)[C@@H](C)C(N)=O ZINC000159508257 364223938 /nfs/dbraw/zinc/22/39/38/364223938.db2.gz VLXRVXAAAHVINL-ZDUSSCGKSA-N 1 0 292.379 1.390 20 70 CDIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000160087641 364303816 /nfs/dbraw/zinc/30/38/16/364303816.db2.gz DKDMCJIWVZNBRC-AATRIKPKSA-N 1 0 270.764 1.249 20 70 CDIDRO O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000160803063 364410444 /nfs/dbraw/zinc/41/04/44/364410444.db2.gz OYXVNAQTRSAWFI-GHMZBOCLSA-N 1 0 288.269 1.453 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000161411380 364489816 /nfs/dbraw/zinc/48/98/16/364489816.db2.gz WMSQWAYPWVIRDC-SQWLQELKSA-N 1 0 290.407 1.957 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000161199509 364736084 /nfs/dbraw/zinc/73/60/84/364736084.db2.gz KHLWMJBXCPWXOE-ZDUSSCGKSA-N 1 0 262.353 1.971 20 70 CDIDRO COC1(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000161068992 284676017 /nfs/dbraw/zinc/67/60/17/284676017.db2.gz QNDIBUDXSQYENS-UONOGXRCSA-N 1 0 280.412 1.840 20 70 CDIDRO COC[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160784439 285354282 /nfs/dbraw/zinc/35/42/82/285354282.db2.gz QLFNYHHTVZAKKI-DZGCQCFKSA-N 1 0 276.380 1.975 20 70 CDIDRO CCCc1ncc(C(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000160395864 139910110 /nfs/dbraw/zinc/91/01/10/139910110.db2.gz JTGKENQOASSORN-SECBINFHSA-N 1 0 253.371 1.659 20 70 CDIDRO CCc1ncnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1F ZINC000217998307 140164515 /nfs/dbraw/zinc/16/45/15/140164515.db2.gz NIAAEOVJXYZTND-GHMZBOCLSA-N 1 0 280.347 1.453 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000159386577 292426356 /nfs/dbraw/zinc/42/63/56/292426356.db2.gz RIXMUBDOJBKLLE-RNODOKPDSA-N 1 0 298.452 1.653 20 70 CDIDRO CCC[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000161445119 276028509 /nfs/dbraw/zinc/02/85/09/276028509.db2.gz NYZXUBSLQRHWSE-KGLIPLIRSA-N 1 0 268.401 1.794 20 70 CDIDRO COc1ccccc1CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000160974981 278049382 /nfs/dbraw/zinc/04/93/82/278049382.db2.gz YESFFCZGCPGIJF-ZIAGYGMSSA-N 1 0 264.369 1.633 20 70 CDIDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCO1 ZINC000218655659 278389994 /nfs/dbraw/zinc/38/99/94/278389994.db2.gz IXXWZDMWUYSROP-YNEHKIRRSA-N 1 0 289.441 1.889 20 70 CDIDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159938464 278798121 /nfs/dbraw/zinc/79/81/21/278798121.db2.gz YLQDHZHWNWKQIL-CYBMUJFWSA-N 1 0 282.409 1.661 20 70 CDIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](C)[NH3+])cc1 ZINC000161099791 278852663 /nfs/dbraw/zinc/85/26/63/278852663.db2.gz IDBGWMBVYGWQFJ-QEJZJMRPSA-N 1 0 276.380 1.926 20 70 CDIDRO COc1ccc(/C=C\C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000217464155 280088802 /nfs/dbraw/zinc/08/88/02/280088802.db2.gz RYLOCKCEHFROQH-DEBLGDTFSA-N 1 0 274.364 1.824 20 70 CDIDRO CCCNC(=O)CCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161056038 482857008 /nfs/dbraw/zinc/85/70/08/482857008.db2.gz HKDIHECBSBFJTD-RYUDHWBXSA-N 1 0 269.389 1.069 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161509720 482881827 /nfs/dbraw/zinc/88/18/27/482881827.db2.gz MEYJSZAZVUFPIJ-NXEZZACHSA-N 1 0 262.309 1.415 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C)nn2C)CC1 ZINC000160371454 519851041 /nfs/dbraw/zinc/85/10/41/519851041.db2.gz DUYWDYOPZGBXIE-UHFFFAOYSA-N 1 0 264.373 1.286 20 70 CDIDRO CCOC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161403014 520679304 /nfs/dbraw/zinc/67/93/04/520679304.db2.gz WHAWOPYCLWZRFC-LBPRGKRZSA-N 1 0 292.383 1.357 20 70 CDIDRO CC[NH+](CC)[C@@H](C)CNC(=O)C1(CCOC)CC1 ZINC000161510719 520823162 /nfs/dbraw/zinc/82/31/62/520823162.db2.gz OZXUDBKHAZDWMM-LBPRGKRZSA-N 1 0 256.390 1.650 20 70 CDIDRO CC1CCN(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000160667927 520982152 /nfs/dbraw/zinc/98/21/52/520982152.db2.gz ZCSFFPJDOGDSRR-ZDUSSCGKSA-N 1 0 253.390 1.864 20 70 CDIDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160414963 523502864 /nfs/dbraw/zinc/50/28/64/523502864.db2.gz MFDNWACZEPHNCM-NSHDSACASA-N 1 0 261.325 1.575 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000160959361 524823579 /nfs/dbraw/zinc/82/35/79/524823579.db2.gz ZXWIXALGCJMJBT-QMMMGPOBSA-N 1 0 299.758 1.093 20 70 CDIDRO Cc1ccccc1OC[C@H](O)C[NH2+]CC1(CO)CCCC1 ZINC000160141579 342072890 /nfs/dbraw/zinc/07/28/90/342072890.db2.gz CYKSXSKCHNMKDJ-OAHLLOKOSA-N 1 0 293.407 1.877 20 70 CDIDRO CC(C)(C)c1ccc([C@H](O)CNC(=O)C(C)(C)[NH3+])cc1 ZINC000160970756 361836278 /nfs/dbraw/zinc/83/62/78/361836278.db2.gz YGMRHGAHOBZKRO-CYBMUJFWSA-N 1 0 278.396 1.871 20 70 CDIDRO C[C@@H](CNC(=O)C1([NH3+])CC1)Sc1ccccc1 ZINC000161115762 361874296 /nfs/dbraw/zinc/87/42/96/361874296.db2.gz PAKIBGCUORBUAN-JTQLQIEISA-N 1 0 250.367 1.775 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000161169123 361898632 /nfs/dbraw/zinc/89/86/32/361898632.db2.gz LGRVEHPQBYIKQF-STQMWFEESA-N 1 0 262.353 1.488 20 70 CDIDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cn1 ZINC000159744291 539114691 /nfs/dbraw/zinc/11/46/91/539114691.db2.gz PYLZDXGPOFVYDG-AWEZNQCLSA-N 1 0 263.385 1.885 20 70 CDIDRO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160748116 539116351 /nfs/dbraw/zinc/11/63/51/539116351.db2.gz BAOXFDLWDSRUIH-WFASDCNBSA-N 1 0 282.428 1.774 20 70 CDIDRO O=c1cc(CN2CCN(c3cc[nH+]cc3)CC2)occ1O ZINC000161338086 539117518 /nfs/dbraw/zinc/11/75/18/539117518.db2.gz QLAZTXVDPIPUSL-UHFFFAOYSA-N 1 0 287.319 1.063 20 70 CDIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])COC ZINC000159441457 362322265 /nfs/dbraw/zinc/32/22/65/362322265.db2.gz FMJBXLXJFILIRB-HNNXBMFYSA-N 1 0 293.411 1.118 20 70 CDIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])COC ZINC000159441320 362322332 /nfs/dbraw/zinc/32/23/32/362322332.db2.gz FMJBXLXJFILIRB-OAHLLOKOSA-N 1 0 293.411 1.118 20 70 CDIDRO COC[C@H]([NH3+])C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000159443973 362322552 /nfs/dbraw/zinc/32/25/52/362322552.db2.gz QTQWPRVBUIFEAK-KBPBESRZSA-N 1 0 278.352 1.236 20 70 CDIDRO C[NH2+]C[C@@H]1CCN(c2ccncc2Br)C1 ZINC000159898637 362379129 /nfs/dbraw/zinc/37/91/29/362379129.db2.gz DMAQOQXLWHFXND-VIFPVBQESA-N 1 0 270.174 1.890 20 70 CDIDRO Cc1ccc(C)c(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160068384 362392593 /nfs/dbraw/zinc/39/25/93/362392593.db2.gz HSNDQYAEFHIIEK-OAHLLOKOSA-N 1 0 275.396 1.911 20 70 CDIDRO CN(CC(=O)NCCc1ccc(F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160090524 362394263 /nfs/dbraw/zinc/39/42/63/362394263.db2.gz PEEVUJAZBXIODR-HNNXBMFYSA-N 1 0 293.386 1.154 20 70 CDIDRO C[C@H](NC(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000160149346 362397527 /nfs/dbraw/zinc/39/75/27/362397527.db2.gz RZSDLJFMCBADGB-WFASDCNBSA-N 1 0 275.396 1.533 20 70 CDIDRO CCCCN(CCO)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160620992 346180014 /nfs/dbraw/zinc/18/00/14/346180014.db2.gz FQIGVKTZXAYAQQ-AWEZNQCLSA-N 1 0 283.416 1.275 20 70 CDIDRO CC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160743047 346480029 /nfs/dbraw/zinc/48/00/29/346480029.db2.gz NOWVRQUNKUCGOA-UONOGXRCSA-N 1 0 281.400 1.291 20 70 CDIDRO CC[C@H](C(=O)Nc1nc(CC(=O)OC)cs1)[NH+](C)C ZINC000160810581 346610806 /nfs/dbraw/zinc/61/08/06/346610806.db2.gz JRRHTULCAQWNFP-SECBINFHSA-N 1 0 285.369 1.137 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1cscn1 ZINC000159617337 363067127 /nfs/dbraw/zinc/06/71/27/363067127.db2.gz JEHSYVVMCGYBBZ-UHFFFAOYSA-N 1 0 282.413 1.423 20 70 CDIDRO C[NH+](C)CCCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000159713778 363220289 /nfs/dbraw/zinc/22/02/89/363220289.db2.gz FZCDNLCLUSNWAD-UHFFFAOYSA-N 1 0 276.262 1.177 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000160486456 188476133 /nfs/dbraw/zinc/47/61/33/188476133.db2.gz MMMFEKSDLXGNHX-LBPRGKRZSA-N 1 0 288.326 1.445 20 70 CDIDRO CC[N@H+](CCNCc1cccc(C(N)=O)c1)C1CC1 ZINC000218181133 366289942 /nfs/dbraw/zinc/28/99/42/366289942.db2.gz PFWWIFORQRWCSL-UHFFFAOYSA-N 1 0 261.369 1.359 20 70 CDIDRO CC[C@H](C(=O)NCCNC(=O)CC1CCCC1)[NH+](C)C ZINC000160049207 538846901 /nfs/dbraw/zinc/84/69/01/538846901.db2.gz OAYJLUZQEDXLEO-CYBMUJFWSA-N 1 0 283.416 1.139 20 70 CDIDRO CC(C)[NH2+]CCC(=O)NCCC(=O)Nc1ccccc1 ZINC000160022794 363593227 /nfs/dbraw/zinc/59/32/27/363593227.db2.gz WCZORVRVVJLHPQ-UHFFFAOYSA-N 1 0 277.368 1.520 20 70 CDIDRO CCCNC(=O)C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000160412159 283358058 /nfs/dbraw/zinc/35/80/58/283358058.db2.gz CQLWHCYDPDIEAS-CQSZACIVSA-N 1 0 256.390 1.386 20 70 CDIDRO O=C(c1cccc2cn[nH]c21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159522803 237151214 /nfs/dbraw/zinc/15/12/14/237151214.db2.gz JVCIFZCPDQYKJK-TXEJJXNPSA-N 1 0 270.336 1.529 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000160131352 237168762 /nfs/dbraw/zinc/16/87/62/237168762.db2.gz BNDYDJNHQXRHBJ-LLVKDONJSA-N 1 0 297.786 1.312 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000160275330 237174875 /nfs/dbraw/zinc/17/48/75/237174875.db2.gz ITWSMURHKKMLAF-ZDUSSCGKSA-N 1 0 290.363 1.340 20 70 CDIDRO Cc1c(C(=O)NCC[N@H+](C)C(C)C)cnn1CC(C)C ZINC000160138263 363684442 /nfs/dbraw/zinc/68/44/42/363684442.db2.gz ILULAUJBRIYASL-UHFFFAOYSA-N 1 0 280.416 1.918 20 70 CDIDRO CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1)C1CC1 ZINC000160952611 360097236 /nfs/dbraw/zinc/09/72/36/360097236.db2.gz IYORQGKWUXMPBU-SNVBAGLBSA-N 1 0 275.352 1.483 20 70 CDIDRO CC(C)Oc1ccc([C@@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000160978206 360462851 /nfs/dbraw/zinc/46/28/51/360462851.db2.gz LXDRSJJAYRKTBF-AWEZNQCLSA-N 1 0 280.368 1.362 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000161088410 360643824 /nfs/dbraw/zinc/64/38/24/360643824.db2.gz YZCJMJHZLBNSRW-WFASDCNBSA-N 1 0 292.448 1.988 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)[C@@H](C[NH3+])C(C)C)n1 ZINC000160160279 360904548 /nfs/dbraw/zinc/90/45/48/360904548.db2.gz UEVLLFSENYHXCT-ZDUSSCGKSA-N 1 0 266.389 1.237 20 70 CDIDRO Cc1noc(C)c1CSCC(=O)N1CCC[NH2+]CC1 ZINC000160815491 361167864 /nfs/dbraw/zinc/16/78/64/361167864.db2.gz QMTFXXUTNLALBV-UHFFFAOYSA-N 1 0 283.397 1.347 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 ZINC000160312469 361411011 /nfs/dbraw/zinc/41/10/11/361411011.db2.gz WXQYXBJUEXEDGG-CHWSQXEVSA-N 1 0 290.363 1.418 20 70 CDIDRO O=C(C[C@H]1OCCc2ccccc21)N1CC[NH2+]CC1 ZINC000159435697 364206088 /nfs/dbraw/zinc/20/60/88/364206088.db2.gz MGNIRVFYTHYCKO-CQSZACIVSA-N 1 0 260.337 1.122 20 70 CDIDRO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cc1C ZINC000159465401 364211964 /nfs/dbraw/zinc/21/19/64/364211964.db2.gz QCXCGFFMLQYBGI-OLZOCXBDSA-N 1 0 264.369 1.943 20 70 CDIDRO CCOc1cc(CNC(=O)[C@@H](C)[NH3+])ccc1OC ZINC000159587097 364238099 /nfs/dbraw/zinc/23/80/99/364238099.db2.gz HURPBDJFMFBLGH-SECBINFHSA-N 1 0 252.314 1.057 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709893 364254321 /nfs/dbraw/zinc/25/43/21/364254321.db2.gz LJWIWUGQXPAXJY-CYBMUJFWSA-N 1 0 295.358 1.045 20 70 CDIDRO CC1(C)C[C@@H](NC(=O)C2([NH3+])CC2)c2ccccc2O1 ZINC000160340362 364337440 /nfs/dbraw/zinc/33/74/40/364337440.db2.gz QRKDTBMLXDWNKX-LLVKDONJSA-N 1 0 260.337 1.896 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000160032556 364297164 /nfs/dbraw/zinc/29/71/64/364297164.db2.gz VEYAXPPHMZREDR-CQSZACIVSA-N 1 0 276.384 1.326 20 70 CDIDRO Cc1ccc(C(=O)CCN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000160067603 364302598 /nfs/dbraw/zinc/30/25/98/364302598.db2.gz GJOCTRJOULYTAS-AWEZNQCLSA-N 1 0 287.363 1.277 20 70 CDIDRO CC(C)([NH3+])CNC(=O)COc1ccccc1C(F)(F)F ZINC000160109998 364306717 /nfs/dbraw/zinc/30/67/17/364306717.db2.gz VJSIYYBOOTVAJZ-UHFFFAOYSA-N 1 0 290.285 1.938 20 70 CDIDRO CCCOc1ccc(OCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160137071 364310073 /nfs/dbraw/zinc/31/00/73/364310073.db2.gz UVIWWRWKJWYJKQ-CYBMUJFWSA-N 1 0 292.379 1.804 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CC[C@H]([NH2+]C)C3)cc12 ZINC000160488076 364361780 /nfs/dbraw/zinc/36/17/80/364361780.db2.gz SDSHDNMELRWLCR-JTQLQIEISA-N 1 0 274.324 1.219 20 70 CDIDRO C[NH2+]CC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160552585 364372467 /nfs/dbraw/zinc/37/24/67/364372467.db2.gz KCGFPJWLSJRITG-LLVKDONJSA-N 1 0 250.342 1.524 20 70 CDIDRO C[C@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000160409155 364347902 /nfs/dbraw/zinc/34/79/02/364347902.db2.gz ZRLBLDNWBYNRDY-HOTGVXAUSA-N 1 0 295.471 1.957 20 70 CDIDRO CC[C@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963008 364433832 /nfs/dbraw/zinc/43/38/32/364433832.db2.gz NASFZPRDAWIJEU-KBPBESRZSA-N 1 0 280.368 1.361 20 70 CDIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)c1ccc(F)cc1F ZINC000161041227 364441812 /nfs/dbraw/zinc/44/18/12/364441812.db2.gz NFNHMBRYPGPWIJ-PRHODGIISA-N 1 0 299.321 1.850 20 70 CDIDRO C[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160909645 364425574 /nfs/dbraw/zinc/42/55/74/364425574.db2.gz SYSRDNBFCQTLPN-JTQLQIEISA-N 1 0 250.317 1.912 20 70 CDIDRO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000160916453 364426797 /nfs/dbraw/zinc/42/67/97/364426797.db2.gz KBBQRPFKYXNTME-LBPRGKRZSA-N 1 0 297.305 1.557 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161506882 373788021 /nfs/dbraw/zinc/78/80/21/373788021.db2.gz BCQDUFRZWHBXKD-WFASDCNBSA-N 1 0 290.363 1.792 20 70 CDIDRO COC(=O)c1cc(NC(=O)C[NH2+]CC2CC2)ccc1C ZINC000161490311 375599357 /nfs/dbraw/zinc/59/93/57/375599357.db2.gz PVKHVYVYPCZQFI-UHFFFAOYSA-N 1 0 276.336 1.720 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)CCCc1nc(C)no1 ZINC000160535579 377084834 /nfs/dbraw/zinc/08/48/34/377084834.db2.gz PNXSHIITCMTQJF-UHFFFAOYSA-N 1 0 268.361 1.334 20 70 CDIDRO CC(C)N(C[C@H](C)O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159728970 390941175 /nfs/dbraw/zinc/94/11/75/390941175.db2.gz RUYSPXBIEMZJKO-LBPRGKRZSA-N 1 0 283.416 1.414 20 70 CDIDRO Cc1ccc2nc(CN(C)[C@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094368 392497270 /nfs/dbraw/zinc/49/72/70/392497270.db2.gz FNVAEJARFPAJMM-CQSZACIVSA-N 1 0 286.379 1.172 20 70 CDIDRO COc1cc(CN2CCCC[C@@H]2C[NH3+])cc2c1OCO2 ZINC000159978879 139907868 /nfs/dbraw/zinc/90/78/68/139907868.db2.gz UWAXHRDGPFOMCX-GFCCVEGCSA-N 1 0 278.352 1.737 20 70 CDIDRO COc1cc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc2c1OCO2 ZINC000159986575 139908358 /nfs/dbraw/zinc/90/83/58/139908358.db2.gz HTQGGKFNRZFCQB-GHMZBOCLSA-N 1 0 278.352 1.606 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSC[C@H]1CCCCO1 ZINC000160327023 139910942 /nfs/dbraw/zinc/91/09/42/139910942.db2.gz HOGFGZAMJXOYER-NWDGAFQWSA-N 1 0 272.414 1.238 20 70 CDIDRO N[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806794 140164278 /nfs/dbraw/zinc/16/42/78/140164278.db2.gz MTCZEZZNFVQKOF-ILXRZTDVSA-N 1 0 273.380 1.429 20 70 CDIDRO CN(Cc1ccccc1F)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160070205 147708906 /nfs/dbraw/zinc/70/89/06/147708906.db2.gz RGRAVWMFWXPPKP-OAHLLOKOSA-N 1 0 293.386 1.453 20 70 CDIDRO COc1cc(OC)nc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000159810653 286244227 /nfs/dbraw/zinc/24/42/27/286244227.db2.gz ANFHTFONKUHTOA-LLVKDONJSA-N 1 0 280.372 1.813 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000159836324 286906528 /nfs/dbraw/zinc/90/65/28/286906528.db2.gz XPRIDRFWKZHZEQ-BREBYQMCSA-N 1 0 282.771 1.976 20 70 CDIDRO COc1c(C)cnc(CN(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000160166130 277781700 /nfs/dbraw/zinc/78/17/00/277781700.db2.gz ISKUGAGOMRHXSU-AWEZNQCLSA-N 1 0 263.385 1.876 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000159472146 278845484 /nfs/dbraw/zinc/84/54/84/278845484.db2.gz CJBHXYIDYLGSMM-OLZOCXBDSA-N 1 0 256.390 1.777 20 70 CDIDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1F)N(C)C1CC1 ZINC000218664465 280091054 /nfs/dbraw/zinc/09/10/54/280091054.db2.gz KKLHEFXCVWBWGN-TZMCWYRMSA-N 1 0 296.386 1.638 20 70 CDIDRO Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160126746 280508291 /nfs/dbraw/zinc/50/82/91/280508291.db2.gz DBFOJZOSCFRGBP-LBPRGKRZSA-N 1 0 282.771 1.977 20 70 CDIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCO1 ZINC000218655499 281359341 /nfs/dbraw/zinc/35/93/41/281359341.db2.gz IXXWZDMWUYSROP-JHJVBQTASA-N 1 0 289.441 1.889 20 70 CDIDRO CCN(CC[NH2+][C@H](C)COC)C(=O)OC(C)(C)C ZINC000159504390 292760078 /nfs/dbraw/zinc/76/00/78/292760078.db2.gz PVSBTAYYCBWUKH-LLVKDONJSA-N 1 0 260.378 1.868 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(NC(=O)OC)c2)C1 ZINC000160624311 292791362 /nfs/dbraw/zinc/79/13/62/292791362.db2.gz RWCZTJRABFRMAR-LBPRGKRZSA-N 1 0 277.324 1.299 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCC2 ZINC000159549768 482704860 /nfs/dbraw/zinc/70/48/60/482704860.db2.gz LMIGHYYNYRGZPQ-RFGFWPKPSA-N 1 0 280.412 1.968 20 70 CDIDRO CCCn1nccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160090043 482781604 /nfs/dbraw/zinc/78/16/04/482781604.db2.gz WEZQXXFOZSZMHM-CYBMUJFWSA-N 1 0 262.401 1.867 20 70 CDIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000160217520 482790197 /nfs/dbraw/zinc/79/01/97/482790197.db2.gz WRFDDBRTARAJSY-GFCCVEGCSA-N 1 0 271.332 1.580 20 70 CDIDRO C[C@@]1(CNC(=O)c2ccc(C[NH3+])o2)CCCC[C@@H]1O ZINC000160841578 482830423 /nfs/dbraw/zinc/83/04/23/482830423.db2.gz VAHUAZSNBHOYLE-JSGCOSHPSA-N 1 0 266.341 1.409 20 70 CDIDRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160923256 482840957 /nfs/dbraw/zinc/84/09/57/482840957.db2.gz VPKYGVDVLUWWJZ-JQWIXIFHSA-N 1 0 291.351 1.020 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC000161261113 482870531 /nfs/dbraw/zinc/87/05/31/482870531.db2.gz NQGRARVNJDUQKJ-STQMWFEESA-N 1 0 272.352 1.422 20 70 CDIDRO COCC[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160578931 521915858 /nfs/dbraw/zinc/91/58/58/521915858.db2.gz MTELJNOFYWYPOQ-OZTPJHRESA-N 1 0 284.400 1.060 20 70 CDIDRO O=C(Cc1ccon1)NCC[NH2+]C1CCCCCC1 ZINC000159681313 534738360 /nfs/dbraw/zinc/73/83/60/534738360.db2.gz OXCQVSNCQMJREN-UHFFFAOYSA-N 1 0 265.357 1.646 20 70 CDIDRO CCc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000161302429 523907909 /nfs/dbraw/zinc/90/79/09/523907909.db2.gz VPJVUDMMRVJVOG-HNNXBMFYSA-N 1 0 260.381 1.859 20 70 CDIDRO CO[C@H]1CCN(Cc2nc(C)ccc2O)[C@@H](C[NH3+])C1 ZINC000161032177 523998557 /nfs/dbraw/zinc/99/85/57/523998557.db2.gz MDCURBDNJHXMJU-NEPJUHHUSA-N 1 0 265.357 1.034 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000160106299 527254564 /nfs/dbraw/zinc/25/45/64/527254564.db2.gz VXBGMXSYDUZXEA-LBPRGKRZSA-N 1 0 292.379 1.712 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159474045 527660922 /nfs/dbraw/zinc/66/09/22/527660922.db2.gz KESBTKZFLMIAMH-UHFFFAOYSA-N 1 0 283.416 1.317 20 70 CDIDRO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160119733 527786933 /nfs/dbraw/zinc/78/69/33/527786933.db2.gz MUBGRRLDMYNFOG-UHFFFAOYSA-N 1 0 277.368 1.246 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000160528558 528925087 /nfs/dbraw/zinc/92/50/87/528925087.db2.gz OOUYQIBWLSUWAI-UHFFFAOYSA-N 1 0 292.379 1.634 20 70 CDIDRO CCCc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159944114 535420951 /nfs/dbraw/zinc/42/09/51/535420951.db2.gz MLISKWOFWTYPHX-HNNXBMFYSA-N 1 0 296.436 1.997 20 70 CDIDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1-n1cccn1 ZINC000159589629 361738381 /nfs/dbraw/zinc/73/83/81/361738381.db2.gz HPFIEPQMFXAZDG-WDEREUQCSA-N 1 0 258.325 1.397 20 70 CDIDRO CC(=O)NC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159726603 361812762 /nfs/dbraw/zinc/81/27/62/361812762.db2.gz IWAWEKANLBTAOL-CQSZACIVSA-N 1 0 254.374 1.261 20 70 CDIDRO NC(=O)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000159727534 361813007 /nfs/dbraw/zinc/81/30/07/361813007.db2.gz ZQSZYJGZOZVBLI-UHFFFAOYSA-N 1 0 298.390 1.960 20 70 CDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000161125181 361876969 /nfs/dbraw/zinc/87/69/69/361876969.db2.gz CTJQXMRDIXCDCO-VIFPVBQESA-N 1 0 285.369 1.124 20 70 CDIDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000216867714 342439405 /nfs/dbraw/zinc/43/94/05/342439405.db2.gz CLIZVMYNGIQUHE-GHMZBOCLSA-N 1 0 293.436 1.808 20 70 CDIDRO O=C(c1cc2ccccc2oc1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159401698 362318879 /nfs/dbraw/zinc/31/88/79/362318879.db2.gz ACUMTIGSOFMSCH-QGZVFWFLSA-N 1 0 298.342 1.619 20 70 CDIDRO CN(C(=O)c1ccc(F)c(F)c1F)[C@@H](C[NH3+])C1CC1 ZINC000159888882 362378324 /nfs/dbraw/zinc/37/83/24/362378324.db2.gz JBSXLAZPWXPKDM-JTQLQIEISA-N 1 0 272.270 1.913 20 70 CDIDRO CC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160723895 346249467 /nfs/dbraw/zinc/24/94/67/346249467.db2.gz FZILZLGTBFSWAC-AWEZNQCLSA-N 1 0 265.401 1.912 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)CC(C)C ZINC000159635803 363091000 /nfs/dbraw/zinc/09/10/00/363091000.db2.gz HMHIXFXQCMERMV-ZDUSSCGKSA-N 1 0 273.421 1.689 20 70 CDIDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159692666 188437270 /nfs/dbraw/zinc/43/72/70/188437270.db2.gz BPIUTWXOKSAQLY-YUMQZZPRSA-N 1 0 276.262 1.511 20 70 CDIDRO Cc1noc(C)c1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000159735364 363252762 /nfs/dbraw/zinc/25/27/62/363252762.db2.gz POOMBDGUZQLQFC-UHFFFAOYSA-N 1 0 285.311 1.461 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)c1ccc(C[NH3+])o1 ZINC000160353578 482796707 /nfs/dbraw/zinc/79/67/07/482796707.db2.gz QERSAVJRTFBSBB-UHFFFAOYSA-N 1 0 266.341 1.627 20 70 CDIDRO COCCOC[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160849324 358774282 /nfs/dbraw/zinc/77/42/82/358774282.db2.gz DGMCKMFGFSDRFX-CQSZACIVSA-N 1 0 289.379 1.819 20 70 CDIDRO C[C@H](OC[C@H]1CCCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159760606 237158683 /nfs/dbraw/zinc/15/86/83/237158683.db2.gz SFPHAKZAYAYCCK-UONOGXRCSA-N 1 0 298.427 1.738 20 70 CDIDRO COc1cc(OC)c(NC(=O)C[C@@H]2CCC[NH2+]2)cc1F ZINC000161210244 237195380 /nfs/dbraw/zinc/19/53/80/237195380.db2.gz TZXSVGZYTYSGIR-VIFPVBQESA-N 1 0 282.315 1.924 20 70 CDIDRO CN(CC1CCOCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160177065 363721535 /nfs/dbraw/zinc/72/15/35/363721535.db2.gz VYELTLNLJWUJRO-GJZGRUSLSA-N 1 0 297.443 1.927 20 70 CDIDRO CCN(CC[NH2+][C@@H](C)COC)C(=O)OC(C)(C)C ZINC000159504247 360375934 /nfs/dbraw/zinc/37/59/34/360375934.db2.gz PVSBTAYYCBWUKH-NSHDSACASA-N 1 0 260.378 1.868 20 70 CDIDRO CC[C@@H](C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159444935 361700316 /nfs/dbraw/zinc/70/03/16/361700316.db2.gz KJGNDXBCZREBKH-UPJWGTAASA-N 1 0 254.374 1.497 20 70 CDIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ncc(C(C)=O)s1 ZINC000159509466 361725514 /nfs/dbraw/zinc/72/55/14/361725514.db2.gz OGPUOWARFWNTIK-IMTBSYHQSA-N 1 0 255.343 1.658 20 70 CDIDRO CC[N@H+](CCNC(=O)N(C)C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000160495493 363942794 /nfs/dbraw/zinc/94/27/94/363942794.db2.gz SYOFIPRSISXTMA-OCCSQVGLSA-N 1 0 283.416 1.273 20 70 CDIDRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)CCC[NH3+] ZINC000159706473 364254109 /nfs/dbraw/zinc/25/41/09/364254109.db2.gz QBNMFMFHTAFBBQ-UHFFFAOYSA-N 1 0 294.351 1.129 20 70 CDIDRO CCOC(=O)CCCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159715644 364255885 /nfs/dbraw/zinc/25/58/85/364255885.db2.gz ARKAPEUQTUMLGU-OLZOCXBDSA-N 1 0 257.374 1.813 20 70 CDIDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000160252139 364326298 /nfs/dbraw/zinc/32/62/98/364326298.db2.gz XPKDXLWCLZKNDT-CYBMUJFWSA-N 1 0 294.418 1.897 20 70 CDIDRO CC(C)n1nccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159914627 364280730 /nfs/dbraw/zinc/28/07/30/364280730.db2.gz GXTWRVKRDYPSLZ-LBPRGKRZSA-N 1 0 264.373 1.630 20 70 CDIDRO CCO[C@H](C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000159937627 364282887 /nfs/dbraw/zinc/28/28/87/364282887.db2.gz AKYRYSCZUZRVGA-LBPRGKRZSA-N 1 0 250.342 1.618 20 70 CDIDRO COc1cccc(C2(C(=O)NCCC[NH3+])CCCC2)c1 ZINC000160061382 364300504 /nfs/dbraw/zinc/30/05/04/364300504.db2.gz ZUUVPXXQHXJBDL-UHFFFAOYSA-N 1 0 276.380 1.972 20 70 CDIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@@H](C)[NH3+] ZINC000160096423 364305832 /nfs/dbraw/zinc/30/58/32/364305832.db2.gz IDWMSROAZFNKBG-LLVKDONJSA-N 1 0 252.333 1.954 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000160657285 364391554 /nfs/dbraw/zinc/39/15/54/364391554.db2.gz UCDXDWDFEPQABG-AWEZNQCLSA-N 1 0 287.363 1.469 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160394384 364346264 /nfs/dbraw/zinc/34/62/64/364346264.db2.gz ZFPVMVLTKBHQPH-LBPRGKRZSA-N 1 0 289.379 1.207 20 70 CDIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccc(F)cc1F ZINC000161045191 364441122 /nfs/dbraw/zinc/44/11/22/364441122.db2.gz DIBHXZYVZCPZAH-RDDDGLTNSA-N 1 0 285.294 1.589 20 70 CDIDRO Cc1nnc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1C ZINC000161341815 364480486 /nfs/dbraw/zinc/48/04/86/364480486.db2.gz QVUBPRYJJLFZOH-OAHLLOKOSA-N 1 0 285.395 1.612 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000160413738 369183416 /nfs/dbraw/zinc/18/34/16/369183416.db2.gz QATZRQSEVHPRDC-ZIAGYGMSSA-N 1 0 295.427 1.091 20 70 CDIDRO CO[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159789443 139905830 /nfs/dbraw/zinc/90/58/30/139905830.db2.gz VDSPSCMYTHTRFS-UONOGXRCSA-N 1 0 262.353 1.570 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000160718015 377095322 /nfs/dbraw/zinc/09/53/22/377095322.db2.gz JWASCHVDHKFZPO-UHFFFAOYSA-N 1 0 296.798 1.774 20 70 CDIDRO C[C@H](O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161446529 377633767 /nfs/dbraw/zinc/63/37/67/377633767.db2.gz AMCIESTZLZTAOB-LSDHHAIUSA-N 1 0 254.418 1.955 20 70 CDIDRO C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC(C)(C)O1 ZINC000159736093 390976350 /nfs/dbraw/zinc/97/63/50/390976350.db2.gz HRXQSDJSMXRRPM-JTQLQIEISA-N 1 0 288.355 1.248 20 70 CDIDRO COc1ccc2nc(C(=O)NCCC[NH3+])ccc2c1 ZINC000160091700 533343819 /nfs/dbraw/zinc/34/38/19/533343819.db2.gz HSXLQBOVZZILCJ-UHFFFAOYSA-N 1 0 259.309 1.322 20 70 CDIDRO CCCOC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160338123 391381472 /nfs/dbraw/zinc/38/14/72/391381472.db2.gz BNKGYICVYYFKLP-OLZOCXBDSA-N 1 0 254.374 1.498 20 70 CDIDRO Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159938157 139908630 /nfs/dbraw/zinc/90/86/30/139908630.db2.gz QBVUMUZPMJYPIF-GFCCVEGCSA-N 1 0 286.372 1.492 20 70 CDIDRO C[C@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000217514444 140163735 /nfs/dbraw/zinc/16/37/35/140163735.db2.gz NIJNFIYLLUMIGY-GXTWGEPZSA-N 1 0 261.369 1.287 20 70 CDIDRO CN1CC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)CC1=O ZINC000159689291 147700602 /nfs/dbraw/zinc/70/06/02/147700602.db2.gz PIBVELFKLCXPFU-ZDUSSCGKSA-N 1 0 295.427 1.283 20 70 CDIDRO CO[C@H]1CCN(C(=O)C2CCCCCC2)[C@H](C[NH3+])C1 ZINC000161134445 286047456 /nfs/dbraw/zinc/04/74/56/286047456.db2.gz XTRBSPPFZFZMON-KBPBESRZSA-N 1 0 268.401 1.922 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccncc2Cl)[C@@H](C[NH3+])C1 ZINC000161115601 286056660 /nfs/dbraw/zinc/05/66/60/286056660.db2.gz HIOUXIBLELIGQN-ZJUUUORDSA-N 1 0 283.759 1.313 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCC2 ZINC000160993761 286371302 /nfs/dbraw/zinc/37/13/02/286371302.db2.gz VQAYRFDHCQUDCS-QJPTWQEYSA-N 1 0 268.401 1.824 20 70 CDIDRO COc1cccc(CCC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000216787661 227393009 /nfs/dbraw/zinc/39/30/09/227393009.db2.gz AXPBKBNRVSPZOH-LBPRGKRZSA-N 1 0 262.353 1.448 20 70 CDIDRO COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160128994 264238589 /nfs/dbraw/zinc/23/85/89/264238589.db2.gz FMISSXHCCABFAY-GFCCVEGCSA-N 1 0 282.771 1.841 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000160129311 264238614 /nfs/dbraw/zinc/23/86/14/264238614.db2.gz LJGJITNLXXZTBE-BPJJOFIESA-N 1 0 288.347 1.421 20 70 CDIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000159466658 292759435 /nfs/dbraw/zinc/75/94/35/292759435.db2.gz XNAZNTSZMZUWBC-LLVKDONJSA-N 1 0 285.409 1.902 20 70 CDIDRO C[C@H](CNC(=O)NC1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000159744458 292767378 /nfs/dbraw/zinc/76/73/78/292767378.db2.gz DNEROKOYPMQSMU-RDBSUJKOSA-N 1 0 297.443 1.974 20 70 CDIDRO COCC(C)(C)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161372877 292805306 /nfs/dbraw/zinc/80/53/06/292805306.db2.gz CIYAVUPOXMWRAP-STQMWFEESA-N 1 0 286.416 1.275 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000161015624 482853076 /nfs/dbraw/zinc/85/30/76/482853076.db2.gz ZWMIGRRTMHMFBZ-NEPJUHHUSA-N 1 0 292.383 1.656 20 70 CDIDRO COCCC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000160785340 483065228 /nfs/dbraw/zinc/06/52/28/483065228.db2.gz UBZYAUZMPYXCAU-QWHCGFSZSA-N 1 0 268.401 1.969 20 70 CDIDRO COC(CN1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000161264823 522534985 /nfs/dbraw/zinc/53/49/85/522534985.db2.gz OSRQKEZHJDFCND-ZDUSSCGKSA-N 1 0 256.390 1.413 20 70 CDIDRO CCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160738529 517548723 /nfs/dbraw/zinc/54/87/23/517548723.db2.gz CVIZDIZPEBGNIE-ZIAGYGMSSA-N 1 0 268.401 1.671 20 70 CDIDRO CC(=O)N1CCC[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159492299 519549476 /nfs/dbraw/zinc/54/94/76/519549476.db2.gz YUONWROTWGAKAI-ZDUSSCGKSA-N 1 0 281.400 1.023 20 70 CDIDRO CCOC(=O)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000160833456 520834324 /nfs/dbraw/zinc/83/43/24/520834324.db2.gz XXVNKTXLEWRIGT-GFCCVEGCSA-N 1 0 292.379 1.820 20 70 CDIDRO C[C@@H](C(N)=O)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161239038 524305989 /nfs/dbraw/zinc/30/59/89/524305989.db2.gz NLJMDTXGPVAGHM-LBPRGKRZSA-N 1 0 286.379 1.815 20 70 CDIDRO O=C([C@H]1CCCC[N@@H+]1CCOCC1CC1)N1CCOCC1 ZINC000160390290 526535290 /nfs/dbraw/zinc/53/52/90/526535290.db2.gz UTNUNZSQPUKZIH-OAHLLOKOSA-N 1 0 296.411 1.126 20 70 CDIDRO Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160373245 398146737 /nfs/dbraw/zinc/14/67/37/398146737.db2.gz ACSMDDKBWYFHAG-GASCZTMLSA-N 1 0 258.365 1.890 20 70 CDIDRO CCOC(=O)CCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159653229 361761480 /nfs/dbraw/zinc/76/14/80/361761480.db2.gz PWAOBXMOURQASA-UHFFFAOYSA-N 1 0 285.388 1.067 20 70 CDIDRO COCCOCCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159859771 361885285 /nfs/dbraw/zinc/88/52/85/361885285.db2.gz XINJIIBKNKCLOE-UHFFFAOYSA-N 1 0 284.400 1.030 20 70 CDIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(=O)[nH]1 ZINC000159756244 362363524 /nfs/dbraw/zinc/36/35/24/362363524.db2.gz GTOVWGVKHHLROR-UHFFFAOYSA-N 1 0 263.341 1.075 20 70 CDIDRO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866625 362376672 /nfs/dbraw/zinc/37/66/72/362376672.db2.gz DPHSJEGIPOXNEK-BDAKNGLRSA-N 1 0 281.322 1.113 20 70 CDIDRO CN(CCC(=O)Nc1cccc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000160035924 362388249 /nfs/dbraw/zinc/38/82/49/362388249.db2.gz DFYQGPUILQZHIZ-AWEZNQCLSA-N 1 0 279.359 1.823 20 70 CDIDRO Cc1cc(Br)oc1C(=O)NCCC[NH3+] ZINC000160080619 362392697 /nfs/dbraw/zinc/39/26/97/362392697.db2.gz HRCBCQSFVWKCAI-UHFFFAOYSA-N 1 0 261.119 1.429 20 70 CDIDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159562936 362422704 /nfs/dbraw/zinc/42/27/04/362422704.db2.gz RLPLQPOWPBDQIQ-MCIONIFRSA-N 1 0 278.396 1.873 20 70 CDIDRO O=C(Cc1ccccc1Br)NC[C@H]1CC[NH2+]C1 ZINC000217256667 344840785 /nfs/dbraw/zinc/84/07/85/344840785.db2.gz ROGODJYNSBNFGG-JTQLQIEISA-N 1 0 297.196 1.717 20 70 CDIDRO COc1ccc(C)cc1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000216785420 346006312 /nfs/dbraw/zinc/00/63/12/346006312.db2.gz FWVBPRFKTDMWMP-LBPRGKRZSA-N 1 0 262.353 1.366 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000159577011 362930533 /nfs/dbraw/zinc/93/05/33/362930533.db2.gz RUZCZRHHVZRSMX-UHFFFAOYSA-N 1 0 280.347 1.504 20 70 CDIDRO CC(C)N(CC(F)F)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159689695 363193093 /nfs/dbraw/zinc/19/30/93/363193093.db2.gz UOTGWDNUWZTNEJ-JTQLQIEISA-N 1 0 280.384 1.926 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159694692 188436855 /nfs/dbraw/zinc/43/68/55/188436855.db2.gz SITAXFNNCUAYKM-DTWKUNHWSA-N 1 0 290.289 1.901 20 70 CDIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000159896093 188446796 /nfs/dbraw/zinc/44/67/96/188446796.db2.gz BGJGJDUPDRRGHV-VXGBXAGGSA-N 1 0 275.352 1.129 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000161409751 188525556 /nfs/dbraw/zinc/52/55/56/188525556.db2.gz FZUJZPSBCLRIEW-JTQLQIEISA-N 1 0 293.342 1.466 20 70 CDIDRO CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C[NH3+])C1CC1 ZINC000159875896 363399393 /nfs/dbraw/zinc/39/93/93/363399393.db2.gz GIBRWOOYXRZBJK-HNNXBMFYSA-N 1 0 271.364 1.906 20 70 CDIDRO c1nc2c(c(NCC[NH+]3CCSCC3)n1)CCCC2 ZINC000217804561 538506232 /nfs/dbraw/zinc/50/62/32/538506232.db2.gz QKZWSFHMKCMPHC-UHFFFAOYSA-N 1 0 278.425 1.816 20 70 CDIDRO CCC(CC)NC(=O)[C@@H](C)SCCN1CCOCC1 ZINC000160018660 363587055 /nfs/dbraw/zinc/58/70/55/363587055.db2.gz TYGROMVTVQCGGG-GFCCVEGCSA-N 1 0 288.457 1.745 20 70 CDIDRO COCCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000161078723 237190627 /nfs/dbraw/zinc/19/06/27/237190627.db2.gz ADQPKUXCVKSYJD-AWEZNQCLSA-N 1 0 297.443 1.785 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160540072 237178740 /nfs/dbraw/zinc/17/87/40/237178740.db2.gz YZAMPTFWAJTZDC-JTQLQIEISA-N 1 0 265.357 1.162 20 70 CDIDRO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000160837350 361319200 /nfs/dbraw/zinc/31/92/00/361319200.db2.gz JBTSHVFOFIOWNL-NWDGAFQWSA-N 1 0 286.297 1.886 20 70 CDIDRO CS[C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000160314968 363812780 /nfs/dbraw/zinc/81/27/80/363812780.db2.gz HNRIMKLHVHLCAC-NWDGAFQWSA-N 1 0 258.431 1.976 20 70 CDIDRO Cc1nn(C)c(C)c1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159603482 364240722 /nfs/dbraw/zinc/24/07/22/364240722.db2.gz SVVGSLHYBIVHOS-UHFFFAOYSA-N 1 0 292.427 1.747 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159703217 364254290 /nfs/dbraw/zinc/25/42/90/364254290.db2.gz MFACBDMRQPBSHQ-SNVBAGLBSA-N 1 0 250.367 1.775 20 70 CDIDRO C[C@@H](CNC(=O)[C@H](O)c1ccccc1)C[NH+]1CCCCC1 ZINC000160265769 364327765 /nfs/dbraw/zinc/32/77/65/364327765.db2.gz WXVLGOOZSZQKIC-GOEBONIOSA-N 1 0 290.407 1.958 20 70 CDIDRO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160287339 364328853 /nfs/dbraw/zinc/32/88/53/364328853.db2.gz OQXWCUZQDOAUQG-SMDDNHRTSA-N 1 0 264.344 1.954 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1 ZINC000159892977 364278063 /nfs/dbraw/zinc/27/80/63/364278063.db2.gz CFDMQBHXOHCIRW-DGCLKSJQSA-N 1 0 275.352 1.272 20 70 CDIDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCC[NH3+])c1 ZINC000160141033 364309947 /nfs/dbraw/zinc/30/99/47/364309947.db2.gz BBGSDYALZYAVQC-SNVBAGLBSA-N 1 0 270.760 1.881 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000160451938 364353973 /nfs/dbraw/zinc/35/39/73/364353973.db2.gz AASVHGNONXKNOX-BXUZGUMPSA-N 1 0 276.336 1.402 20 70 CDIDRO CC(C)S(=O)(=O)CCCN(C)Cc1ccco1 ZINC000160539414 364369001 /nfs/dbraw/zinc/36/90/01/364369001.db2.gz VVFWMXLYPBCCEP-UHFFFAOYSA-N 1 0 259.371 1.925 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 ZINC000160548189 364373014 /nfs/dbraw/zinc/37/30/14/364373014.db2.gz PFGMCVPVZBSQML-ZDUSSCGKSA-N 1 0 262.353 1.503 20 70 CDIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160957961 364432788 /nfs/dbraw/zinc/43/27/88/364432788.db2.gz LPLPCBAOFHWNMJ-VXGBXAGGSA-N 1 0 291.395 1.426 20 70 CDIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160971274 364433779 /nfs/dbraw/zinc/43/37/79/364433779.db2.gz XAYJAZPZIVPZSE-LLVKDONJSA-N 1 0 277.368 1.036 20 70 CDIDRO O=C([C@@H]1CC[NH2+]C1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000161433527 373739695 /nfs/dbraw/zinc/73/96/95/373739695.db2.gz YFQWGFWATGQXRH-IJLUTSLNSA-N 1 0 254.399 1.483 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc([S@](C)=O)cc1 ZINC000161231275 377494320 /nfs/dbraw/zinc/49/43/20/377494320.db2.gz AIRWNXZKACZPQB-QGZVFWFLSA-N 1 0 255.383 1.628 20 70 CDIDRO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H](C[NH3+])C2)[C@@H]1C ZINC000217546641 391829018 /nfs/dbraw/zinc/82/90/18/391829018.db2.gz LLFMRMAKWKTDOG-KBXIAJHMSA-N 1 0 281.444 1.598 20 70 CDIDRO CO[C@@H]1CCN(C(=O)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000161147101 285689609 /nfs/dbraw/zinc/68/96/09/285689609.db2.gz HDFHOZKIFYBFAE-QWHCGFSZSA-N 1 0 269.389 1.276 20 70 CDIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000159402264 292758068 /nfs/dbraw/zinc/75/80/68/292758068.db2.gz SLJQIDYOSMBLDZ-OCCSQVGLSA-N 1 0 258.406 1.630 20 70 CDIDRO [NH3+]Cc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)o1 ZINC000159696512 482742615 /nfs/dbraw/zinc/74/26/15/482742615.db2.gz DRNXUJSRXKYEIG-UHFFFAOYSA-N 1 0 288.229 1.749 20 70 CDIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccccc1F ZINC000160217384 482789879 /nfs/dbraw/zinc/78/98/79/482789879.db2.gz WRFDDBRTARAJSY-LBPRGKRZSA-N 1 0 271.332 1.580 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000160992684 482849788 /nfs/dbraw/zinc/84/97/88/482849788.db2.gz XXRAGWGCCFBMGG-NEPJUHHUSA-N 1 0 272.352 1.263 20 70 CDIDRO Cc1nn(C)c2ncc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000161216801 482870438 /nfs/dbraw/zinc/87/04/38/482870438.db2.gz NIBBFFNQKZDIHO-NEPJUHHUSA-N 1 0 287.367 1.276 20 70 CDIDRO CC(C)n1ccnc1CN1CC[NH+](C(C)C)CC1 ZINC000160765481 520030608 /nfs/dbraw/zinc/03/06/08/520030608.db2.gz DMLAEQQNAOJCOT-UHFFFAOYSA-N 1 0 250.390 1.990 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000160486261 520408806 /nfs/dbraw/zinc/40/88/06/520408806.db2.gz CATAXAXUPATBHO-UHFFFAOYSA-N 1 0 289.383 1.430 20 70 CDIDRO [NH3+]C1(CNC(=O)CC[C@H]2CCOC2)CCCCC1 ZINC000159640949 534536619 /nfs/dbraw/zinc/53/66/19/534536619.db2.gz BDEMEJJVRWNZDV-LBPRGKRZSA-N 1 0 254.374 1.581 20 70 CDIDRO COC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160508057 522763400 /nfs/dbraw/zinc/76/34/00/522763400.db2.gz LFTJEUIYDVEICK-NEPJUHHUSA-N 1 0 252.362 1.162 20 70 CDIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC000161416685 523221831 /nfs/dbraw/zinc/22/18/31/523221831.db2.gz JLNPZCHXZIVGAE-VXGBXAGGSA-N 1 0 262.419 1.484 20 70 CDIDRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH3+] ZINC000160130852 529166405 /nfs/dbraw/zinc/16/64/05/529166405.db2.gz SGUFAUIIQJKATR-NSHDSACASA-N 1 0 270.760 1.962 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000217484571 535051892 /nfs/dbraw/zinc/05/18/92/535051892.db2.gz AQVCURMHMQLLRD-UHXUPSOCSA-N 1 0 283.416 1.027 20 70 CDIDRO CSC1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000161214096 361921524 /nfs/dbraw/zinc/92/15/24/361921524.db2.gz VMYWVAIZZYGTCX-NSHDSACASA-N 1 0 272.414 1.157 20 70 CDIDRO CO[C@]1(C[NH2+][C@H]2CCCc3cccnc32)CCOC1 ZINC000160126521 539115394 /nfs/dbraw/zinc/11/53/94/539115394.db2.gz FRELQUAHAVZJOE-ZFWWWQNUSA-N 1 0 262.353 1.854 20 70 CDIDRO COCCCOC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000161240641 362143752 /nfs/dbraw/zinc/14/37/52/362143752.db2.gz XSJJMNWNIUXTSA-CYBMUJFWSA-N 1 0 284.400 1.030 20 70 CDIDRO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CNCCO1 ZINC000216737649 342439357 /nfs/dbraw/zinc/43/93/57/342439357.db2.gz KGMCYQLHWDCBNQ-DUTNFGBUSA-N 1 0 250.386 1.389 20 70 CDIDRO C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2)CC[C@@H]1O ZINC000159461143 362323862 /nfs/dbraw/zinc/32/38/62/362323862.db2.gz WLGIZTORIRHYQO-MFKMUULPSA-N 1 0 282.771 1.981 20 70 CDIDRO CC[C@@H](NCCCN1CCc2ccccc21)C(=O)OC ZINC000159487734 362327874 /nfs/dbraw/zinc/32/78/74/362327874.db2.gz RWXKADTZCLTGNB-CQSZACIVSA-N 1 0 276.380 1.980 20 70 CDIDRO COC(=O)c1ccc(CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159744543 362361683 /nfs/dbraw/zinc/36/16/83/362361683.db2.gz ARCJBXFIJPGQFQ-CQSZACIVSA-N 1 0 262.353 1.642 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000159973634 362383366 /nfs/dbraw/zinc/38/33/66/362383366.db2.gz ZIEOBJUIEBLGEI-GFCCVEGCSA-N 1 0 290.335 1.323 20 70 CDIDRO COc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985013 362385714 /nfs/dbraw/zinc/38/57/14/362385714.db2.gz DIPCHGOTTBCWBC-DGCLKSJQSA-N 1 0 292.379 1.983 20 70 CDIDRO COc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)ccc1F ZINC000160340717 362414273 /nfs/dbraw/zinc/41/42/73/362414273.db2.gz WTXGRDGHBFFTCQ-SNVBAGLBSA-N 1 0 268.288 1.151 20 70 CDIDRO CCOCCN(CC)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160684658 346194761 /nfs/dbraw/zinc/19/47/61/346194761.db2.gz CQAHWZVOKSOSFS-AWEZNQCLSA-N 1 0 283.416 1.539 20 70 CDIDRO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000160236520 188461397 /nfs/dbraw/zinc/46/13/97/188461397.db2.gz BTDGQZKRJHMFBQ-GXFFZTMASA-N 1 0 250.317 1.879 20 70 CDIDRO COc1ccc2c(CC(=O)N3CCC[C@@H]3C[NH3+])coc2c1 ZINC000160269255 188463037 /nfs/dbraw/zinc/46/30/37/188463037.db2.gz DUTYFOCEHLVUCV-GFCCVEGCSA-N 1 0 288.347 1.934 20 70 CDIDRO CC(C)c1cnc(NC(=O)[C@H]2C[NH2+]CCO2)s1 ZINC000160896253 188497483 /nfs/dbraw/zinc/49/74/83/188497483.db2.gz MVQMGVGQKAZOHC-MRVPVSSYSA-N 1 0 255.343 1.193 20 70 CDIDRO Cc1cccc([C@H](C)CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000160736236 237184693 /nfs/dbraw/zinc/18/46/93/237184693.db2.gz YYHPWTUDOKXWLS-HIFRSBDPSA-N 1 0 276.380 1.593 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(C(=O)NC)cc1 ZINC000217395987 360319977 /nfs/dbraw/zinc/31/99/77/360319977.db2.gz CAKDQZAAEJZGFY-ZDUSSCGKSA-N 1 0 277.412 1.866 20 70 CDIDRO CCc1ccsc1C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161061350 360717134 /nfs/dbraw/zinc/71/71/34/360717134.db2.gz QLCCOZZYVHCESU-NWDGAFQWSA-N 1 0 282.409 1.889 20 70 CDIDRO C[C@@H]([NH3+])C(=O)NCCCCCOC1CCCCC1 ZINC000159533798 361732378 /nfs/dbraw/zinc/73/23/78/361732378.db2.gz CTVSGUIPNALEKA-GFCCVEGCSA-N 1 0 256.390 1.969 20 70 CDIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000159386672 364197066 /nfs/dbraw/zinc/19/70/66/364197066.db2.gz RIXMUBDOJBKLLE-ZUOKHONESA-N 1 0 298.452 1.653 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000159436155 364206735 /nfs/dbraw/zinc/20/67/35/364206735.db2.gz GZSRGJGFCGBQCQ-MNOVXSKESA-N 1 0 268.332 1.143 20 70 CDIDRO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159458678 364210997 /nfs/dbraw/zinc/21/09/97/364210997.db2.gz ORKPIYHRDPFVJO-NEPJUHHUSA-N 1 0 264.369 1.889 20 70 CDIDRO CC[NH+]1CCC(NC(=O)NC[C@H](C)SC)CC1 ZINC000159578220 364236789 /nfs/dbraw/zinc/23/67/89/364236789.db2.gz POIXKQAPUHDVOO-JTQLQIEISA-N 1 0 259.419 1.521 20 70 CDIDRO CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159961665 364287244 /nfs/dbraw/zinc/28/72/44/364287244.db2.gz RZGAOCZFLRZFAH-OAHLLOKOSA-N 1 0 262.353 1.992 20 70 CDIDRO Cc1ccc2nc(CSCC(=O)NCCC[NH3+])cn2c1 ZINC000160117708 364308720 /nfs/dbraw/zinc/30/87/20/364308720.db2.gz NWUFMQBWBUTHEA-UHFFFAOYSA-N 1 0 292.408 1.341 20 70 CDIDRO CC[NH+](CC)CCN(CCOC)c1ncccn1 ZINC000160431637 364352128 /nfs/dbraw/zinc/35/21/28/364352128.db2.gz CGWCNTDGQIZFDZ-UHFFFAOYSA-N 1 0 252.362 1.271 20 70 CDIDRO CCN(C)C(=O)c1cccc(C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000160805865 364411184 /nfs/dbraw/zinc/41/11/84/364411184.db2.gz BCENJVGVQFPJTK-CQSZACIVSA-N 1 0 289.379 1.212 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSCc2ccccn2)C1 ZINC000161424644 373705064 /nfs/dbraw/zinc/70/50/64/373705064.db2.gz LGNLRKMERMQSNL-RYUDHWBXSA-N 1 0 279.409 1.701 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000218277922 373743064 /nfs/dbraw/zinc/74/30/64/373743064.db2.gz UMKXAQIDVGPCJG-AWEZNQCLSA-N 1 0 294.395 1.111 20 70 CDIDRO CCOC(=O)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C)CC ZINC000161505311 375649011 /nfs/dbraw/zinc/64/90/11/375649011.db2.gz XBQVEVSCIFVQOB-QNWHQSFQSA-N 1 0 284.400 1.598 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000161495520 375637540 /nfs/dbraw/zinc/63/75/40/375637540.db2.gz RDYCDVRYEDDNOL-UWVGGRQHSA-N 1 0 294.351 1.778 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1cccnc1 ZINC000160521824 377084129 /nfs/dbraw/zinc/08/41/29/377084129.db2.gz FQNKTYPPHOQSEY-NSHDSACASA-N 1 0 265.357 1.483 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)c(C)n1 ZINC000160545087 377084436 /nfs/dbraw/zinc/08/44/36/377084436.db2.gz IAZHUFFLIQBBTO-UHFFFAOYSA-N 1 0 291.395 1.133 20 70 CDIDRO CCCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159410824 390939810 /nfs/dbraw/zinc/93/98/10/390939810.db2.gz GCBXQDFZWJEEGV-CQSZACIVSA-N 1 0 267.417 1.591 20 70 CDIDRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC[NH+]1CCCCC1 ZINC000161166625 390953910 /nfs/dbraw/zinc/95/39/10/390953910.db2.gz SQJSRLQTMMWHGZ-ZIAGYGMSSA-N 1 0 288.457 1.370 20 70 CDIDRO COc1ccc2nc(C(=O)N3CCC[C@H]3C[NH3+])ccc2c1 ZINC000160266802 533344339 /nfs/dbraw/zinc/34/43/39/533344339.db2.gz PHWNXLRQTHHGCJ-LBPRGKRZSA-N 1 0 285.347 1.807 20 70 CDIDRO C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCCC[C@@H]1O ZINC000160844304 391272445 /nfs/dbraw/zinc/27/24/45/391272445.db2.gz NOJZLLZFACYLLW-SGMGOOAPSA-N 1 0 254.374 1.186 20 70 CDIDRO CN1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000218251820 391636505 /nfs/dbraw/zinc/63/65/05/391636505.db2.gz LXCIMSGHZGSKEI-LSDHHAIUSA-N 1 0 273.380 1.111 20 70 CDIDRO CC(C)c1ccc(N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000161459268 392722207 /nfs/dbraw/zinc/72/22/07/392722207.db2.gz PIAAWFSUNZSCMD-ZIAGYGMSSA-N 1 0 262.353 1.496 20 70 CDIDRO CCOC(=O)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)CC ZINC000161505199 139913139 /nfs/dbraw/zinc/91/31/39/139913139.db2.gz XBQVEVSCIFVQOB-FVCCEPFGSA-N 1 0 284.400 1.598 20 70 CDIDRO C[C@@H](C[NH2+]C[C@@H](O)COCc1cccs1)N(C)C1CC1 ZINC000218709257 414577566 /nfs/dbraw/zinc/57/75/66/414577566.db2.gz JPMGQBKXTAMYJX-GXTWGEPZSA-N 1 0 298.452 1.698 20 70 CDIDRO CC(C)[C@@H](C)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161187773 264272654 /nfs/dbraw/zinc/27/26/54/264272654.db2.gz ZNYRIVYLVHQWHG-GFCCVEGCSA-N 1 0 271.405 1.129 20 70 CDIDRO COc1cc(OC)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000159794998 274098829 /nfs/dbraw/zinc/09/88/29/274098829.db2.gz MXEVSRMTYOKGMY-WDEREUQCSA-N 1 0 278.356 1.533 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161099804 276862429 /nfs/dbraw/zinc/86/24/29/276862429.db2.gz AFRNDDJDLKFGCP-JKSUJKDBSA-N 1 0 290.407 1.845 20 70 CDIDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccc(F)cc1 ZINC000216997043 280087967 /nfs/dbraw/zinc/08/79/67/280087967.db2.gz PKKXXLNCZGCWAU-DMTLFAOVSA-N 1 0 250.317 1.938 20 70 CDIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315270 280961300 /nfs/dbraw/zinc/96/13/00/280961300.db2.gz VAUJCMSIPPFRIM-OLZOCXBDSA-N 1 0 274.372 1.376 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)c1n[nH]c2c1CCCC2 ZINC000160533658 482811137 /nfs/dbraw/zinc/81/11/37/482811137.db2.gz GUSNNRLAWRJNMX-UHFFFAOYSA-N 1 0 264.373 1.536 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC000160778261 482826728 /nfs/dbraw/zinc/82/67/28/482826728.db2.gz HBJXJIOEHPKBBC-NEPJUHHUSA-N 1 0 286.335 1.736 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000160811615 482827907 /nfs/dbraw/zinc/82/79/07/482827907.db2.gz UNKBWXFIEYGZFM-KBPBESRZSA-N 1 0 295.427 1.459 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000161320984 482873382 /nfs/dbraw/zinc/87/33/82/482873382.db2.gz IBMGWABGYJRJIA-MCIONIFRSA-N 1 0 293.411 1.021 20 70 CDIDRO CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000160216882 535515295 /nfs/dbraw/zinc/51/52/95/535515295.db2.gz PJEVCZLFEUNWID-AWEZNQCLSA-N 1 0 270.417 1.897 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000160764969 522504242 /nfs/dbraw/zinc/50/42/42/522504242.db2.gz SEROCTZQGQFGHM-ZDUSSCGKSA-N 1 0 270.336 1.306 20 70 CDIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccoc1 ZINC000160743967 525677370 /nfs/dbraw/zinc/67/73/70/525677370.db2.gz CODARWZQLVPQMI-YPMHNXCESA-N 1 0 288.351 1.859 20 70 CDIDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)nc2ccccc12 ZINC000160825043 526245167 /nfs/dbraw/zinc/24/51/67/526245167.db2.gz AJWGVPYXLUSCJW-UHFFFAOYSA-N 1 0 269.348 1.979 20 70 CDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000160125010 527741944 /nfs/dbraw/zinc/74/19/44/527741944.db2.gz STBXAHPXLLFUQF-JTQLQIEISA-N 1 0 289.335 1.193 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)N3CCC[NH2+]CC3)cc21 ZINC000160868237 528514213 /nfs/dbraw/zinc/51/42/13/528514213.db2.gz DQXSFMMVHJAGMM-UHFFFAOYSA-N 1 0 288.351 1.782 20 70 CDIDRO CCN(C)C(=O)CC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159499843 529113887 /nfs/dbraw/zinc/11/38/87/529113887.db2.gz MGJGLVZPWOPKPR-UHFFFAOYSA-N 1 0 270.373 1.272 20 70 CDIDRO CC[C@H](C)NC(=O)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159709807 361805750 /nfs/dbraw/zinc/80/57/50/361805750.db2.gz RHJUILKOLVMYQX-ZDUSSCGKSA-N 1 0 298.431 1.028 20 70 CDIDRO CCC[NH+]1CCC(Nc2nc(OC)cc(OC)n2)CC1 ZINC000159780297 539114716 /nfs/dbraw/zinc/11/47/16/539114716.db2.gz NOJJOLSETPORGJ-UHFFFAOYSA-N 1 0 280.372 1.780 20 70 CDIDRO CCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160261203 362085924 /nfs/dbraw/zinc/08/59/24/362085924.db2.gz BJBFJMFVGNADPN-HZSPNIEDSA-N 1 0 293.411 1.130 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000161257702 362260168 /nfs/dbraw/zinc/26/01/68/362260168.db2.gz OVQBZUJCTUPKMY-STQMWFEESA-N 1 0 270.417 1.929 20 70 CDIDRO COc1c(C)cnc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C ZINC000159438742 362322312 /nfs/dbraw/zinc/32/23/12/362322312.db2.gz PDOOAURFTHBEAL-RISCZKNCSA-N 1 0 264.369 1.910 20 70 CDIDRO COC[C@H]([NH3+])C(=O)NCc1ccccc1OC(F)(F)F ZINC000159442832 362322536 /nfs/dbraw/zinc/32/25/36/362322536.db2.gz GMYHTZCFKGPJDI-VIFPVBQESA-N 1 0 292.257 1.175 20 70 CDIDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000159469679 362325692 /nfs/dbraw/zinc/32/56/92/362325692.db2.gz JOWWDJLBKHVCED-YPMHNXCESA-N 1 0 265.353 1.907 20 70 CDIDRO CN(CC(=O)Nc1cc(C(C)(C)C)no1)[C@H](C[NH3+])C1CC1 ZINC000160012993 362386456 /nfs/dbraw/zinc/38/64/56/362386456.db2.gz HHMREFPJTJJKHH-LLVKDONJSA-N 1 0 294.399 1.580 20 70 CDIDRO CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])CCN1CCOC ZINC000161287632 362407263 /nfs/dbraw/zinc/40/72/63/362407263.db2.gz PRRCTZFFIHRXOQ-CQSZACIVSA-N 1 0 299.459 1.321 20 70 CDIDRO CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000160621172 362456647 /nfs/dbraw/zinc/45/66/47/362456647.db2.gz KSFVQFUOIUTSDZ-MJBXVCDLSA-N 1 0 296.411 1.171 20 70 CDIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CCO)C1 ZINC000159611133 345246134 /nfs/dbraw/zinc/24/61/34/345246134.db2.gz CMYWPGUOMOONQN-KBPBESRZSA-N 1 0 299.459 1.957 20 70 CDIDRO COC1(C(=O)NC[C@@H](C)Cc2cccs2)CC[NH2+]CC1 ZINC000161095117 362959634 /nfs/dbraw/zinc/95/96/34/362959634.db2.gz OUYORRCHXXWGOK-LBPRGKRZSA-N 1 0 296.436 1.812 20 70 CDIDRO CC(C)N(CC(F)F)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159689575 363192959 /nfs/dbraw/zinc/19/29/59/363192959.db2.gz UOTGWDNUWZTNEJ-SNVBAGLBSA-N 1 0 280.384 1.926 20 70 CDIDRO COC1(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC[NH2+]CC1 ZINC000159794866 188441605 /nfs/dbraw/zinc/44/16/05/188441605.db2.gz WWRMFHQPSIRUAI-NSHDSACASA-N 1 0 296.436 1.872 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000161111049 188508553 /nfs/dbraw/zinc/50/85/53/188508553.db2.gz MGRWQSJJMYMHLT-CYBMUJFWSA-N 1 0 291.395 1.697 20 70 CDIDRO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000159424344 359112688 /nfs/dbraw/zinc/11/26/88/359112688.db2.gz FJIBEYGRJZXHEO-UHFFFAOYSA-N 1 0 273.311 1.866 20 70 CDIDRO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000218680152 359062741 /nfs/dbraw/zinc/06/27/41/359062741.db2.gz WMLXXJVNUOLDQZ-GXTWGEPZSA-N 1 0 292.379 1.157 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161220244 237197008 /nfs/dbraw/zinc/19/70/08/237197008.db2.gz KPEGCQXMYIGYDL-HUUCEWRRSA-N 1 0 296.411 1.315 20 70 CDIDRO Cc1noc2nc(C(C)C)cc(C(=O)N3CC[NH2+]CC3)c12 ZINC000159368628 361672258 /nfs/dbraw/zinc/67/22/58/361672258.db2.gz QZSANLZQABRVGN-UHFFFAOYSA-N 1 0 288.351 1.700 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159470166 361708001 /nfs/dbraw/zinc/70/80/01/361708001.db2.gz KBZLPNUOQKMYCT-CABCVRRESA-N 1 0 297.443 1.975 20 70 CDIDRO CO[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159524225 361727805 /nfs/dbraw/zinc/72/78/05/361727805.db2.gz AZNAICQOKJRRQT-ZNMIVQPWSA-N 1 0 274.364 1.727 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC000160572817 364038430 /nfs/dbraw/zinc/03/84/30/364038430.db2.gz HQXJPWYTOMZSKS-CQSZACIVSA-N 1 0 268.401 1.650 20 70 CDIDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc2ccccc2o1 ZINC000159773428 364263896 /nfs/dbraw/zinc/26/38/96/364263896.db2.gz JNUQBBDGULTYAS-JTQLQIEISA-N 1 0 287.319 1.635 20 70 CDIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000159825269 364270358 /nfs/dbraw/zinc/27/03/58/364270358.db2.gz RIWCFBDWBIQQSJ-CABCVRRESA-N 1 0 274.364 1.112 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159897304 364279460 /nfs/dbraw/zinc/27/94/60/364279460.db2.gz XEMZEXPIZQWOCO-ZYHUDNBSSA-N 1 0 295.408 1.210 20 70 CDIDRO CCc1cnc(CNC(=O)N2CCC[N@@H+](CC)CC2)s1 ZINC000159925280 364281885 /nfs/dbraw/zinc/28/18/85/364281885.db2.gz OXGSHHPVVXCYSP-UHFFFAOYSA-N 1 0 296.440 1.943 20 70 CDIDRO C[C@H](CO)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160364794 364341271 /nfs/dbraw/zinc/34/12/71/364341271.db2.gz YIURYDARGJMFAX-ZBFHGGJFSA-N 1 0 290.407 1.738 20 70 CDIDRO CCOc1ccc(OCCCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160201610 364317998 /nfs/dbraw/zinc/31/79/98/364317998.db2.gz HXSWZOQRBITZJS-CYBMUJFWSA-N 1 0 292.379 1.804 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000160620442 364382051 /nfs/dbraw/zinc/38/20/51/364382051.db2.gz PNTVZSPYLTWFRL-ZIAGYGMSSA-N 1 0 261.369 1.110 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(CC(C)C)n2)C1 ZINC000160711777 364400663 /nfs/dbraw/zinc/40/06/63/364400663.db2.gz WURJBQYISVJAGK-SNVBAGLBSA-N 1 0 267.398 1.776 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000161231668 364467826 /nfs/dbraw/zinc/46/78/26/364467826.db2.gz BOIFBBHBYIXXJY-CYBMUJFWSA-N 1 0 295.379 1.831 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000161379646 364486057 /nfs/dbraw/zinc/48/60/57/364486057.db2.gz WSKQIJMBROPJQF-GPANFISMSA-N 1 0 294.370 1.896 20 70 CDIDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000161474596 364499463 /nfs/dbraw/zinc/49/94/63/364499463.db2.gz GXIAVEOVDJMVBY-MRXNPFEDSA-N 1 0 292.379 1.833 20 70 CDIDRO COc1ccc(O)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000218074312 367259767 /nfs/dbraw/zinc/25/97/67/367259767.db2.gz KZYDEAJZBPEFGC-KGLIPLIRSA-N 1 0 290.363 1.757 20 70 CDIDRO CC(C)([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449544 375370930 /nfs/dbraw/zinc/37/09/30/375370930.db2.gz MQAIKVFIKWJQHF-LBPRGKRZSA-N 1 0 292.354 1.984 20 70 CDIDRO C[C@@H](C(=O)NCC1(CCO)CCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160142700 377050244 /nfs/dbraw/zinc/05/02/44/377050244.db2.gz IJZMJVXMSXQPTP-MJBXVCDLSA-N 1 0 282.428 1.917 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)c(C)c1 ZINC000160698211 377102296 /nfs/dbraw/zinc/10/22/96/377102296.db2.gz PREJOIDYEQPBLR-UHFFFAOYSA-N 1 0 290.407 1.738 20 70 CDIDRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160200226 391716430 /nfs/dbraw/zinc/71/64/30/391716430.db2.gz YDXIZHFPMGTGCR-CMPLNLGQSA-N 1 0 266.316 1.543 20 70 CDIDRO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217543866 392960045 /nfs/dbraw/zinc/96/00/45/392960045.db2.gz SQNXSUCHQYJRQY-RDBSUJKOSA-N 1 0 267.417 1.352 20 70 CDIDRO CC[N@H+](CCO)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000217603103 392963205 /nfs/dbraw/zinc/96/32/05/392963205.db2.gz MNLOBTGHMDHBNQ-ZIAGYGMSSA-N 1 0 268.401 1.482 20 70 CDIDRO C[C@@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000217514362 140163680 /nfs/dbraw/zinc/16/36/80/140163680.db2.gz NIJNFIYLLUMIGY-TZMCWYRMSA-N 1 0 261.369 1.287 20 70 CDIDRO CO[C@@H](C)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159880634 139907296 /nfs/dbraw/zinc/90/72/96/139907296.db2.gz WDEIUMTYWOBZNI-NSHDSACASA-N 1 0 254.374 1.402 20 70 CDIDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000218168211 140164753 /nfs/dbraw/zinc/16/47/53/140164753.db2.gz KIFBJZFAGQGGIR-NEPJUHHUSA-N 1 0 290.363 1.710 20 70 CDIDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000218052474 140165099 /nfs/dbraw/zinc/16/50/99/140165099.db2.gz DWCXRMJDPMZONE-QWHCGFSZSA-N 1 0 296.411 1.709 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000161114523 286533311 /nfs/dbraw/zinc/53/33/11/286533311.db2.gz CNYITJCEMWUEMP-AVGNSLFASA-N 1 0 268.401 1.824 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cc(C)oc2C)[C@H](C[NH3+])C1 ZINC000161051680 277290990 /nfs/dbraw/zinc/29/09/90/277290990.db2.gz XMIDMSHSGCVZOR-NWDGAFQWSA-N 1 0 266.341 1.475 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161096486 278304414 /nfs/dbraw/zinc/30/44/14/278304414.db2.gz JFNJVOBFRSCYKY-KKFJDGPESA-N 1 0 250.317 1.913 20 70 CDIDRO Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)c[nH]c1=O ZINC000159457765 292759778 /nfs/dbraw/zinc/75/97/78/292759778.db2.gz PDFWMGJGMVCQCY-UHFFFAOYSA-N 1 0 285.347 1.997 20 70 CDIDRO COC(=O)N(C)CCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159579643 292762511 /nfs/dbraw/zinc/76/25/11/292762511.db2.gz GBTMTYODIHAQDF-UHFFFAOYSA-N 1 0 285.388 1.243 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)OC)cc2)C1 ZINC000160782841 292794056 /nfs/dbraw/zinc/79/40/56/292794056.db2.gz UKWQDQQLYPZRHO-GFCCVEGCSA-N 1 0 277.324 1.299 20 70 CDIDRO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000160970271 292797235 /nfs/dbraw/zinc/79/72/35/292797235.db2.gz DLORRIRAFPFDTJ-GJZGRUSLSA-N 1 0 278.396 1.666 20 70 CDIDRO CO[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159789582 293379496 /nfs/dbraw/zinc/37/94/96/293379496.db2.gz VDSPSCMYTHTRFS-ZIAGYGMSSA-N 1 0 262.353 1.570 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC000160891426 482836385 /nfs/dbraw/zinc/83/63/85/482836385.db2.gz OKSYGEZHOJXFKH-RYUDHWBXSA-N 1 0 268.307 1.893 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC000160971683 482846688 /nfs/dbraw/zinc/84/66/88/482846688.db2.gz DYRJNRZUEGJVBY-BDAKNGLRSA-N 1 0 254.280 1.965 20 70 CDIDRO CCOCCC[N@H+](CCO)Cc1ccccc1OC ZINC000160485018 521704495 /nfs/dbraw/zinc/70/44/95/521704495.db2.gz LNUHHIWZUANRGP-UHFFFAOYSA-N 1 0 267.369 1.916 20 70 CDIDRO CC[C@H](O)CCNC(=O)NCCC[NH+](CC)CC ZINC000160663006 522792443 /nfs/dbraw/zinc/79/24/43/522792443.db2.gz NJJVQNKUDUKPRC-LBPRGKRZSA-N 1 0 259.394 1.179 20 70 CDIDRO C[C@](NCCC[NH+]1CCCCC1)(C(N)=O)c1ccccc1 ZINC000161442415 525153974 /nfs/dbraw/zinc/15/39/74/525153974.db2.gz LSZIXASCACKJIV-QGZVFWFLSA-N 1 0 289.423 1.853 20 70 CDIDRO Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000159562834 526692784 /nfs/dbraw/zinc/69/27/84/526692784.db2.gz KAXCCTZDMVFOGI-ZDUSSCGKSA-N 1 0 277.368 1.896 20 70 CDIDRO COCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000159725373 361813017 /nfs/dbraw/zinc/81/30/17/361813017.db2.gz QUSQMIQYKJMKRW-QWHCGFSZSA-N 1 0 268.401 1.602 20 70 CDIDRO COC(=O)c1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)oc1C ZINC000159846603 361878616 /nfs/dbraw/zinc/87/86/16/361878616.db2.gz RDZQQFOTIAZRNE-FZMZJTMJSA-N 1 0 281.352 1.967 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161132311 361883525 /nfs/dbraw/zinc/88/35/25/361883525.db2.gz JHOGTYJYBZYPAD-QWHCGFSZSA-N 1 0 292.379 1.721 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000161164790 361898240 /nfs/dbraw/zinc/89/82/40/361898240.db2.gz NJZUUUJAHFEVMJ-GJZGRUSLSA-N 1 0 278.396 1.878 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000159997746 361997546 /nfs/dbraw/zinc/99/75/46/361997546.db2.gz XYNQYIJVQIAHTI-CYBMUJFWSA-N 1 0 283.416 1.539 20 70 CDIDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160770460 539116715 /nfs/dbraw/zinc/11/67/15/539116715.db2.gz HGWLCZBHPYWBTG-BBRMVZONSA-N 1 0 290.407 1.736 20 70 CDIDRO CC1(O)CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000161194041 539117333 /nfs/dbraw/zinc/11/73/33/539117333.db2.gz BTINICZXELJHCY-UHFFFAOYSA-N 1 0 289.379 1.567 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000160264530 362085930 /nfs/dbraw/zinc/08/59/30/362085930.db2.gz HPYGRSYCETZIDR-LLVKDONJSA-N 1 0 290.754 1.903 20 70 CDIDRO COc1cc(OC)nc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000159787391 362371079 /nfs/dbraw/zinc/37/10/79/362371079.db2.gz JOHXSJZJERAMSU-LLVKDONJSA-N 1 0 280.372 1.638 20 70 CDIDRO CCc1nnc(CN[C@@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000160273656 362406771 /nfs/dbraw/zinc/40/67/71/362406771.db2.gz OYELWJHTIVFZNE-JTQLQIEISA-N 1 0 288.351 1.989 20 70 CDIDRO O=C(NC[C@@H](O)c1ccsc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161498450 363091278 /nfs/dbraw/zinc/09/12/78/363091278.db2.gz NQAWPRCQARVLOQ-DOERSZECSA-N 1 0 294.420 1.818 20 70 CDIDRO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000159734974 363252700 /nfs/dbraw/zinc/25/27/00/363252700.db2.gz MROFSHLELGNHAO-STQMWFEESA-N 1 0 293.411 1.971 20 70 CDIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159856646 363380834 /nfs/dbraw/zinc/38/08/34/363380834.db2.gz AVAKGMSAAGSVLU-CYBMUJFWSA-N 1 0 294.443 1.112 20 70 CDIDRO C[C@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CC[C@@H]1O ZINC000159420006 358506497 /nfs/dbraw/zinc/50/64/97/358506497.db2.gz RYNQZRBZYXVDAU-WFASDCNBSA-N 1 0 289.379 1.422 20 70 CDIDRO CCCc1cc(SCC[NH+](C)C)n2ncnc2n1 ZINC000159425090 358519392 /nfs/dbraw/zinc/51/93/92/358519392.db2.gz UURWKJLBJIAAJE-UHFFFAOYSA-N 1 0 265.386 1.731 20 70 CDIDRO NC(=O)C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161371768 237202790 /nfs/dbraw/zinc/20/27/90/237202790.db2.gz RSHBMFBKXVKHED-AWEZNQCLSA-N 1 0 267.417 1.450 20 70 CDIDRO CN(C(=O)Cc1ccc(F)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000159890975 359841257 /nfs/dbraw/zinc/84/12/57/359841257.db2.gz CZWJBEAHZRJFEN-ZDUSSCGKSA-N 1 0 268.307 1.703 20 70 CDIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160440852 363862772 /nfs/dbraw/zinc/86/27/72/363862772.db2.gz GPMVLDOGVFBHAO-SWLSCSKDSA-N 1 0 281.400 1.027 20 70 CDIDRO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159458541 364210497 /nfs/dbraw/zinc/21/04/97/364210497.db2.gz ORKPIYHRDPFVJO-VXGBXAGGSA-N 1 0 264.369 1.889 20 70 CDIDRO COc1cccc(CNC(=O)[C@H](C)[NH3+])c1OC1CCCC1 ZINC000159856221 364275252 /nfs/dbraw/zinc/27/52/52/364275252.db2.gz CSYIQBZXYWTBGP-NSHDSACASA-N 1 0 292.379 1.980 20 70 CDIDRO CCC(CC)(C[NH2+]CCC(=O)N1CCCCC1)C(=O)OC ZINC000159686276 364250724 /nfs/dbraw/zinc/25/07/24/364250724.db2.gz FGTOUTNWUZQHQM-UHFFFAOYSA-N 1 0 298.427 1.958 20 70 CDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)nn1 ZINC000159767329 364262232 /nfs/dbraw/zinc/26/22/32/364262232.db2.gz WQPIILKNYWCKMP-LLVKDONJSA-N 1 0 278.356 1.089 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000159939493 364283133 /nfs/dbraw/zinc/28/31/33/364283133.db2.gz SMLJNSDWWZLHSG-CYBMUJFWSA-N 1 0 295.383 1.704 20 70 CDIDRO C[C@H](CCOc1ccccc1)C(=O)NCCC[NH3+] ZINC000160152629 364312837 /nfs/dbraw/zinc/31/28/37/364312837.db2.gz WYKZAVWKNDPLGD-GFCCVEGCSA-N 1 0 250.342 1.557 20 70 CDIDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cn1 ZINC000160611015 364382381 /nfs/dbraw/zinc/38/23/81/364382381.db2.gz CFMBALCQTSBEDP-VIFPVBQESA-N 1 0 292.305 1.793 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000160736812 364403173 /nfs/dbraw/zinc/40/31/73/364403173.db2.gz FJFLUGHOCRKZDP-LBPRGKRZSA-N 1 0 270.336 1.511 20 70 CDIDRO C[C@@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000160408982 364347178 /nfs/dbraw/zinc/34/71/78/364347178.db2.gz ZRLBLDNWBYNRDY-CVEARBPZSA-N 1 0 295.471 1.957 20 70 CDIDRO Cc1cccc(O[C@@H](C)CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000161165756 364458487 /nfs/dbraw/zinc/45/84/87/364458487.db2.gz OPHGFEYHHXFRLO-XJKSGUPXSA-N 1 0 276.380 1.878 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000160842499 376148079 /nfs/dbraw/zinc/14/80/79/376148079.db2.gz POZJYQDKORJMPN-GDBMZVCRSA-N 1 0 288.391 1.895 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)C1(NC(C)=O)CCCCC1 ZINC000160414536 377062449 /nfs/dbraw/zinc/06/24/49/377062449.db2.gz OOGHKAFJKJUCEB-UHFFFAOYSA-N 1 0 283.416 1.459 20 70 CDIDRO CCC(CC)N1C[C@@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160452776 377067485 /nfs/dbraw/zinc/06/74/85/377067485.db2.gz XGPAAYKPSCCQCG-LBPRGKRZSA-N 1 0 297.443 1.657 20 70 CDIDRO CCCCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159373183 390939588 /nfs/dbraw/zinc/93/95/88/390939588.db2.gz ITVYWCDSUBDRJK-OAHLLOKOSA-N 1 0 281.444 1.981 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160135561 390977855 /nfs/dbraw/zinc/97/78/55/390977855.db2.gz LVNQWUBPCPZPJU-DGCLKSJQSA-N 1 0 294.782 1.841 20 70 CDIDRO CC1CCN(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000160668042 391168966 /nfs/dbraw/zinc/16/89/66/391168966.db2.gz ZCSFFPJDOGDSRR-CYBMUJFWSA-N 1 0 253.390 1.864 20 70 CDIDRO CCO[C@H]1C[C@H](N(C)C(=O)C[NH+](C)C)C12CCC2 ZINC000160527630 286510870 /nfs/dbraw/zinc/51/08/70/286510870.db2.gz HUPYZTJKJGNXNT-RYUDHWBXSA-N 1 0 254.374 1.354 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000159473596 278393665 /nfs/dbraw/zinc/39/36/65/278393665.db2.gz YGDKYYRJHKENSG-MBNYWOFBSA-N 1 0 292.379 1.328 20 70 CDIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000161151571 279328152 /nfs/dbraw/zinc/32/81/52/279328152.db2.gz ABZGRVMADWABPE-DGCLKSJQSA-N 1 0 280.343 1.851 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161028768 295537473 /nfs/dbraw/zinc/53/74/73/295537473.db2.gz ZXTSMVDZADWEMW-BFHYXJOUSA-N 1 0 266.385 1.450 20 70 CDIDRO [NH3+]C[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CCO1 ZINC000160084620 303429610 /nfs/dbraw/zinc/42/96/10/303429610.db2.gz HBWDHSHHDWBRLP-BPHCLYMKSA-N 1 0 278.396 1.245 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC000161311945 482873538 /nfs/dbraw/zinc/87/35/38/482873538.db2.gz NFQHHWSXUHYPAT-OLZOCXBDSA-N 1 0 280.343 1.981 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000161337627 519591003 /nfs/dbraw/zinc/59/10/03/519591003.db2.gz DUFWHEOLUDWKPO-ZDUSSCGKSA-N 1 0 295.427 1.139 20 70 CDIDRO CCc1nnc(C[NH2+][C@@H](CCO)C2CCCCC2)[nH]1 ZINC000160556858 522348612 /nfs/dbraw/zinc/34/86/12/522348612.db2.gz DYBHTWJFICAZSH-LBPRGKRZSA-N 1 0 266.389 1.788 20 70 CDIDRO CC(C)(C(N)=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160381920 527544177 /nfs/dbraw/zinc/54/41/77/527544177.db2.gz VMBMLBCOWSVUDU-CYBMUJFWSA-N 1 0 289.379 1.530 20 70 CDIDRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCCO2)CC1 ZINC000161204432 528239896 /nfs/dbraw/zinc/23/98/96/528239896.db2.gz GSZGLHHOSDMVJE-AWEZNQCLSA-N 1 0 268.401 1.794 20 70 CDIDRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000159831735 398219090 /nfs/dbraw/zinc/21/90/90/398219090.db2.gz WQJWNRVIJIOZMN-SNVBAGLBSA-N 1 0 284.381 1.296 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000159728499 361815116 /nfs/dbraw/zinc/81/51/16/361815116.db2.gz ZCFMXZMFCCKODY-ZDUSSCGKSA-N 1 0 293.415 1.249 20 70 CDIDRO C[C@@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccncc1 ZINC000160367946 539115812 /nfs/dbraw/zinc/11/58/12/539115812.db2.gz HTFBJYMQRHXLCX-KBPBESRZSA-N 1 0 275.396 1.985 20 70 CDIDRO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160770596 539116693 /nfs/dbraw/zinc/11/66/93/539116693.db2.gz HGWLCZBHPYWBTG-CJNGLKHVSA-N 1 0 290.407 1.736 20 70 CDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC1CCCC1 ZINC000161298176 539117412 /nfs/dbraw/zinc/11/74/12/539117412.db2.gz PVIIMFCEOXBXDB-UHFFFAOYSA-N 1 0 288.395 1.262 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159501116 342365854 /nfs/dbraw/zinc/36/58/54/342365854.db2.gz QVEVUDXTJWJYBD-UHFFFAOYSA-N 1 0 273.340 1.798 20 70 CDIDRO CC(C)[NH2+]CCC(=O)Nc1cnn(CC(F)F)c1 ZINC000160990043 342380488 /nfs/dbraw/zinc/38/04/88/342380488.db2.gz JFKRUUNUQYTFST-UHFFFAOYSA-N 1 0 260.288 1.475 20 70 CDIDRO COc1c(C)cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1C ZINC000216787568 342439402 /nfs/dbraw/zinc/43/94/02/342439402.db2.gz RXLOULWHDKIUNM-LBPRGKRZSA-N 1 0 262.353 1.746 20 70 CDIDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCN ZINC000218288191 342439599 /nfs/dbraw/zinc/43/95/99/342439599.db2.gz GTGCWBDRTBWCMU-LBPRGKRZSA-N 1 0 252.358 1.573 20 70 CDIDRO CCOc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1OC ZINC000161242157 362183983 /nfs/dbraw/zinc/18/39/83/362183983.db2.gz SBYSWSMDRDJLOA-ZDUSSCGKSA-N 1 0 292.379 1.918 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000161257560 362260325 /nfs/dbraw/zinc/26/03/25/362260325.db2.gz OVQBZUJCTUPKMY-CHWSQXEVSA-N 1 0 270.417 1.929 20 70 CDIDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000159469807 362324839 /nfs/dbraw/zinc/32/48/39/362324839.db2.gz JOWWDJLBKHVCED-AAEUAGOBSA-N 1 0 265.353 1.907 20 70 CDIDRO CN(C(=O)c1ccc2c(c1)COC2)[C@H](C[NH3+])C1CC1 ZINC000159814303 362373380 /nfs/dbraw/zinc/37/33/80/362373380.db2.gz CDTNUVRVIWVHRA-CQSZACIVSA-N 1 0 260.337 1.526 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000161280591 362393650 /nfs/dbraw/zinc/39/36/50/362393650.db2.gz FTVPZVXHQZMEBH-UHFFFAOYSA-N 1 0 278.400 1.881 20 70 CDIDRO Cc1nn(C)cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159746360 362517930 /nfs/dbraw/zinc/51/79/30/362517930.db2.gz KBCDZWGUMCYQCH-UHFFFAOYSA-N 1 0 276.384 1.333 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H](C)O ZINC000160944020 362565633 /nfs/dbraw/zinc/56/56/33/362565633.db2.gz MCTIFUFCDKTQNY-CABCVRRESA-N 1 0 299.459 1.909 20 70 CDIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCO1 ZINC000159573442 362922136 /nfs/dbraw/zinc/92/21/36/362922136.db2.gz ADHNVUUCEQLHTJ-LLVKDONJSA-N 1 0 251.374 1.814 20 70 CDIDRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161322465 362930586 /nfs/dbraw/zinc/93/05/86/362930586.db2.gz KXWVPDKPYYKHMF-AWEZNQCLSA-N 1 0 294.420 1.432 20 70 CDIDRO O=C(c1ccc(F)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159398850 188423187 /nfs/dbraw/zinc/42/31/87/188423187.db2.gz JANYYCWKSHIHSL-CQSZACIVSA-N 1 0 266.291 1.790 20 70 CDIDRO [NH3+]CCCNC(=O)CSCC(=O)c1ccccc1 ZINC000160037559 188451624 /nfs/dbraw/zinc/45/16/24/188451624.db2.gz PVEBCEDDSYORMU-UHFFFAOYSA-N 1 0 266.366 1.068 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000160694612 188487311 /nfs/dbraw/zinc/48/73/11/188487311.db2.gz ZPUVOCXHSLYTLH-SECBINFHSA-N 1 0 260.297 1.104 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000160007591 363571626 /nfs/dbraw/zinc/57/16/26/363571626.db2.gz GUVCNHIOTVSMGF-MXWKQRLJSA-N 1 0 271.430 1.662 20 70 CDIDRO COC[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000160175720 538847820 /nfs/dbraw/zinc/84/78/20/538847820.db2.gz QWMLDMHKMBELSD-YPMHNXCESA-N 1 0 254.374 1.545 20 70 CDIDRO CCCn1nccc1C[NH2+]CCC(=O)N1CCCCC1 ZINC000160205004 482788044 /nfs/dbraw/zinc/78/80/44/482788044.db2.gz DEVXEJVTYZRCLM-UHFFFAOYSA-N 1 0 278.400 1.785 20 70 CDIDRO CC[C@H](C)OCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159373408 358446082 /nfs/dbraw/zinc/44/60/82/358446082.db2.gz DLXYJSSYYACXJY-OLZOCXBDSA-N 1 0 256.390 1.650 20 70 CDIDRO Cc1ccc(Nc2cccc(C(=O)NCCC[NH3+])c2)nn1 ZINC000160111297 237163279 /nfs/dbraw/zinc/16/32/79/237163279.db2.gz YAVAIIJONMOIDQ-UHFFFAOYSA-N 1 0 285.351 1.607 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000161003893 361611386 /nfs/dbraw/zinc/61/13/86/361611386.db2.gz HSGAKFSUGDEPDP-SSDOTTSWSA-N 1 0 293.314 1.778 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160335847 363822080 /nfs/dbraw/zinc/82/20/80/363822080.db2.gz STXGMZYGWUFZHS-CYBMUJFWSA-N 1 0 258.369 1.860 20 70 CDIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000160548321 363984945 /nfs/dbraw/zinc/98/49/45/363984945.db2.gz FXRSMWZKBRUIDR-KGLIPLIRSA-N 1 0 297.443 1.434 20 70 CDIDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159502389 364222493 /nfs/dbraw/zinc/22/24/93/364222493.db2.gz XFFLYWGAXSWAIO-AVGNSLFASA-N 1 0 294.395 1.574 20 70 CDIDRO O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH2+]CC1 ZINC000159454390 364209273 /nfs/dbraw/zinc/20/92/73/364209273.db2.gz DSEUIENEIKXLFG-MNOVXSKESA-N 1 0 266.291 1.500 20 70 CDIDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000159692808 364252338 /nfs/dbraw/zinc/25/23/38/364252338.db2.gz BPIUTWXOKSAQLY-HTQZYQBOSA-N 1 0 276.262 1.511 20 70 CDIDRO O=C(CC1CC[NH2+]CC1)Nc1cnn(CC(F)(F)F)c1 ZINC000159698056 364254509 /nfs/dbraw/zinc/25/45/09/364254509.db2.gz PENNPVYNWKVQGC-UHFFFAOYSA-N 1 0 290.289 1.774 20 70 CDIDRO CC(C)COC[C@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000160320491 364335250 /nfs/dbraw/zinc/33/52/50/364335250.db2.gz PKLHSXLITMBFSA-CQSZACIVSA-N 1 0 298.452 1.904 20 70 CDIDRO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1C(=O)N(C)C ZINC000160516052 364366265 /nfs/dbraw/zinc/36/62/65/364366265.db2.gz UJCZBYOMRXUTGX-NWDGAFQWSA-N 1 0 289.379 1.763 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(SC)cc2)C1 ZINC000160542680 364371350 /nfs/dbraw/zinc/37/13/50/364371350.db2.gz HZHAMQUTGKYVCV-VXGBXAGGSA-N 1 0 294.420 1.996 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000160667037 364392244 /nfs/dbraw/zinc/39/22/44/364392244.db2.gz XTWXYWIVBQLBKT-CQSZACIVSA-N 1 0 284.363 1.235 20 70 CDIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160971394 364433724 /nfs/dbraw/zinc/43/37/24/364433724.db2.gz VQBCGSUSSKNYGN-JEOXALJRSA-N 1 0 282.409 1.599 20 70 CDIDRO Cc1nc(CC[NH2+]Cc2cccc(C(N)=O)c2)cs1 ZINC000218099032 367261188 /nfs/dbraw/zinc/26/11/88/367261188.db2.gz OWYZLTJYUPPMDQ-UHFFFAOYSA-N 1 0 275.377 1.883 20 70 CDIDRO CCN(CC[NH2+]C[C@@H](O)COc1ccccc1C)C1CC1 ZINC000218342154 373745212 /nfs/dbraw/zinc/74/52/12/373745212.db2.gz ICNOKYDWKYOZNO-MRXNPFEDSA-N 1 0 292.423 1.809 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161504196 375649075 /nfs/dbraw/zinc/64/90/75/375649075.db2.gz CSZZAHBVFZQOFB-CABZTGNLSA-N 1 0 250.298 1.140 20 70 CDIDRO O=C(c1cc(Cl)c[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160077147 375657896 /nfs/dbraw/zinc/65/78/96/375657896.db2.gz AJYFMYYQJNATSN-AOOOYVTPSA-N 1 0 253.733 1.635 20 70 CDIDRO COc1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000161495623 375638104 /nfs/dbraw/zinc/63/81/04/375638104.db2.gz RDYCDVRYEDDNOL-NXEZZACHSA-N 1 0 294.351 1.778 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1CO ZINC000160947505 377138366 /nfs/dbraw/zinc/13/83/66/377138366.db2.gz DEVUSYLBJWJQBE-HUUCEWRRSA-N 1 0 297.443 1.663 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000160754740 532957341 /nfs/dbraw/zinc/95/73/41/532957341.db2.gz JKVQMUWTMFGCNM-LLVKDONJSA-N 1 0 294.399 1.510 20 70 CDIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612716 391553727 /nfs/dbraw/zinc/55/37/27/391553727.db2.gz XTUHSQYGYXOUDX-ILXRZTDVSA-N 1 0 295.427 1.680 20 70 CDIDRO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217522632 140162924 /nfs/dbraw/zinc/16/29/24/140162924.db2.gz XWNIENNPXRMWJY-GXTWGEPZSA-N 1 0 273.380 1.387 20 70 CDIDRO Cc1cccc(CS(=O)(=O)N2CCN(C)C[C@H]2C)c1 ZINC000216735384 140163647 /nfs/dbraw/zinc/16/36/47/140163647.db2.gz OPCUDDKFDTVBFB-CYBMUJFWSA-N 1 0 282.409 1.461 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)C[NH2+]C)C12CCC2 ZINC000160994266 286370239 /nfs/dbraw/zinc/37/02/39/286370239.db2.gz PGBYFHRDLFKKQZ-SDDRHHMPSA-N 1 0 254.374 1.306 20 70 CDIDRO COc1ccccc1N1CC[C@@H]([N@H+](C)C[C@@H](C)O)C1=O ZINC000159375187 274158760 /nfs/dbraw/zinc/15/87/60/274158760.db2.gz ZWWAUPHCKUBUFZ-DGCLKSJQSA-N 1 0 278.352 1.113 20 70 CDIDRO CC(C)COC(=O)N1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000160212238 292780702 /nfs/dbraw/zinc/78/07/02/292780702.db2.gz VPPBPECNAKEFCY-CYBMUJFWSA-N 1 0 297.399 1.051 20 70 CDIDRO COC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000161003203 292798158 /nfs/dbraw/zinc/79/81/58/292798158.db2.gz BCZKNJITQJYECF-HNNXBMFYSA-N 1 0 294.395 1.572 20 70 CDIDRO [NH3+]CCCNC(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000160124585 303379541 /nfs/dbraw/zinc/37/95/41/303379541.db2.gz RVONVHRKLHGBFH-AWEZNQCLSA-N 1 0 293.436 1.242 20 70 CDIDRO Cc1ccc(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160944045 482844368 /nfs/dbraw/zinc/84/43/68/482844368.db2.gz RLBMXNCURFJGHQ-CHWSQXEVSA-N 1 0 262.353 1.760 20 70 CDIDRO C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161068618 482858741 /nfs/dbraw/zinc/85/87/41/482858741.db2.gz RSOPGOGIOSHKQI-FQUUOJAGSA-N 1 0 284.400 1.347 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000161185575 482867953 /nfs/dbraw/zinc/86/79/53/482867953.db2.gz IDYNJMNVAZWLJM-GHMZBOCLSA-N 1 0 285.347 1.940 20 70 CDIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ncccc1O ZINC000160787464 520647428 /nfs/dbraw/zinc/64/74/28/520647428.db2.gz AKKIFGGCPGESGD-ISOBSLSZSA-N 1 0 291.351 1.258 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000160785265 522501520 /nfs/dbraw/zinc/50/15/20/522501520.db2.gz CJDBPTGLUKZTRL-ZDUSSCGKSA-N 1 0 292.766 1.936 20 70 CDIDRO C[C@@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1F ZINC000160870260 524111673 /nfs/dbraw/zinc/11/16/73/524111673.db2.gz MKIWHAHAUFQRHW-LLVKDONJSA-N 1 0 250.317 1.751 20 70 CDIDRO NC(=[NH2+])NCc1ccnc(OCc2ccccc2)c1 ZINC000161506510 526818337 /nfs/dbraw/zinc/81/83/37/526818337.db2.gz FRNKEOYAPNTSBL-UHFFFAOYSA-N 1 0 256.309 1.644 20 70 CDIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1 ZINC000159453996 527941413 /nfs/dbraw/zinc/94/14/13/527941413.db2.gz DSSINIAEIBNZDN-LBPRGKRZSA-N 1 0 257.378 1.005 20 70 CDIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000159368655 342072833 /nfs/dbraw/zinc/07/28/33/342072833.db2.gz MEWUGCPWNXVQPR-OAHLLOKOSA-N 1 0 281.396 1.969 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CCC[C@@H]3C[NH2+]C)cc12 ZINC000161168626 361898835 /nfs/dbraw/zinc/89/88/35/361898835.db2.gz FGLZQTFBJSKADH-LLVKDONJSA-N 1 0 288.351 1.609 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCC1CCN(C(C)=O)CC1 ZINC000161213299 361917358 /nfs/dbraw/zinc/91/73/58/361917358.db2.gz QGZQDMAMAVQIMS-UHFFFAOYSA-N 1 0 283.416 1.126 20 70 CDIDRO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160784441 539116815 /nfs/dbraw/zinc/11/68/15/539116815.db2.gz PVWIMOKWBZZIGL-JSGCOSHPSA-N 1 0 268.401 1.336 20 70 CDIDRO CN(Cc1cccn1C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000161108390 539117293 /nfs/dbraw/zinc/11/72/93/539117293.db2.gz KLZCHSFHESBHHU-AWEZNQCLSA-N 1 0 290.411 1.651 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161243937 362186039 /nfs/dbraw/zinc/18/60/39/362186039.db2.gz HWCLCLXFSSFXBM-SCVCMEIPSA-N 1 0 250.317 1.877 20 70 CDIDRO O=C([C@H]1CCCO1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000160970143 362357433 /nfs/dbraw/zinc/35/74/33/362357433.db2.gz DLORRIRAFPFDTJ-LSDHHAIUSA-N 1 0 278.396 1.666 20 70 CDIDRO C[NH2+]C[C@@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981077 362384674 /nfs/dbraw/zinc/38/46/74/362384674.db2.gz RNESNEHAYHSJQU-NSHDSACASA-N 1 0 278.352 1.465 20 70 CDIDRO CN(CC(=O)Nc1ccc(F)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000160032351 362388089 /nfs/dbraw/zinc/38/80/89/362388089.db2.gz DIJHIZLCTVYMQR-ZDUSSCGKSA-N 1 0 283.322 1.572 20 70 CDIDRO CC1(C)CC(NC(=O)c2cc[nH]c(=O)c2)CC(C)(C)[NH2+]1 ZINC000161135917 362415779 /nfs/dbraw/zinc/41/57/79/362415779.db2.gz MYOAJUYALROFGO-UHFFFAOYSA-N 1 0 277.368 1.414 20 70 CDIDRO CN(CC(=O)NC1CCCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000160129464 282353882 /nfs/dbraw/zinc/35/38/82/282353882.db2.gz SOHHRYXLFYOVQC-AWEZNQCLSA-N 1 0 267.417 1.495 20 70 CDIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160716480 346221007 /nfs/dbraw/zinc/22/10/07/346221007.db2.gz SORLFPNESADPSQ-FZMZJTMJSA-N 1 0 265.401 1.911 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC000160498500 188476615 /nfs/dbraw/zinc/47/66/15/188476615.db2.gz QJYZGIUSNCTGBB-ZWNOBZJWSA-N 1 0 250.317 1.750 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(OCCOC)c1 ZINC000161152638 188511185 /nfs/dbraw/zinc/51/11/85/188511185.db2.gz HQFRJHODACDEQF-AWEZNQCLSA-N 1 0 292.379 1.536 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161171346 188512778 /nfs/dbraw/zinc/51/27/78/188512778.db2.gz HCENFBZWSKGBAQ-CJNGLKHVSA-N 1 0 276.380 1.878 20 70 CDIDRO CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159806231 363329274 /nfs/dbraw/zinc/32/92/74/363329274.db2.gz QLSMDUXJWYGESS-AWEZNQCLSA-N 1 0 257.337 1.977 20 70 CDIDRO OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000159858820 359278378 /nfs/dbraw/zinc/27/83/78/359278378.db2.gz LNXCZCPPMZHPKT-OLZOCXBDSA-N 1 0 299.798 1.927 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000160127248 237168149 /nfs/dbraw/zinc/16/81/49/237168149.db2.gz GOQMRKAUEDSSDF-SECBINFHSA-N 1 0 262.288 1.265 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)Nc1cnn(CC(F)F)c1 ZINC000160990934 360683725 /nfs/dbraw/zinc/68/37/25/360683725.db2.gz RMBJHQMHLTUNEW-QMMMGPOBSA-N 1 0 278.328 1.167 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000160698722 283581053 /nfs/dbraw/zinc/58/10/53/283581053.db2.gz HYGPRQIXNYVWKY-IQJOONFLSA-N 1 0 280.290 1.030 20 70 CDIDRO COc1cccc(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161186686 482867053 /nfs/dbraw/zinc/86/70/53/482867053.db2.gz UGNOPDAEKDMIEZ-OLZOCXBDSA-N 1 0 262.353 1.624 20 70 CDIDRO CC[C@H](C)Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159422750 361693990 /nfs/dbraw/zinc/69/39/90/361693990.db2.gz YSSHTOZHQMVGEA-LBPRGKRZSA-N 1 0 262.353 1.909 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542541 361732943 /nfs/dbraw/zinc/73/29/43/361732943.db2.gz WDOBCFAVHADSTE-LLVKDONJSA-N 1 0 281.400 1.021 20 70 CDIDRO CC1(C)[C@H](NC(=O)C2([NH3+])CCCCC2)[C@H]2CCO[C@@H]21 ZINC000161108913 363959043 /nfs/dbraw/zinc/95/90/43/363959043.db2.gz HNOXNJQBEFIHOH-UTUOFQBUSA-N 1 0 266.385 1.578 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000159425670 364204386 /nfs/dbraw/zinc/20/43/86/364204386.db2.gz CANSNUUWZXETKG-UWVGGRQHSA-N 1 0 256.371 1.065 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000159438816 364206356 /nfs/dbraw/zinc/20/63/56/364206356.db2.gz PAQSENZMTAZBEL-ZWNOBZJWSA-N 1 0 282.771 1.758 20 70 CDIDRO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)cc1C ZINC000159465256 364212156 /nfs/dbraw/zinc/21/21/56/364212156.db2.gz QCXCGFFMLQYBGI-CHWSQXEVSA-N 1 0 264.369 1.943 20 70 CDIDRO COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C)c1C ZINC000159809043 364268975 /nfs/dbraw/zinc/26/89/75/364268975.db2.gz IGKHFPDUMOHSGG-AWEZNQCLSA-N 1 0 290.363 1.167 20 70 CDIDRO CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159818333 364270282 /nfs/dbraw/zinc/27/02/82/364270282.db2.gz WQFGPGWJAWRZPY-UGFHNGPFSA-N 1 0 276.380 1.224 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1C ZINC000159844430 364273725 /nfs/dbraw/zinc/27/37/25/364273725.db2.gz KYWDUUHNUWTFDP-CHWSQXEVSA-N 1 0 282.409 1.225 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000160254381 364326261 /nfs/dbraw/zinc/32/62/61/364326261.db2.gz VWHMMSKQXHZBNP-CQSZACIVSA-N 1 0 270.336 1.436 20 70 CDIDRO C[NH+](C)C(C)(C)CNC(=O)c1ccnc(Cl)c1F ZINC000160311062 364332770 /nfs/dbraw/zinc/33/27/70/364332770.db2.gz QXWMJGBZDDHZLI-UHFFFAOYSA-N 1 0 273.739 1.944 20 70 CDIDRO CC(C)([NH3+])CNC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000160057535 364300337 /nfs/dbraw/zinc/30/03/37/364300337.db2.gz ISMMRKBUPXQPMJ-UHFFFAOYSA-N 1 0 290.319 1.025 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160644953 364388563 /nfs/dbraw/zinc/38/85/63/364388563.db2.gz VJTZEQJRIQDGKC-SECBINFHSA-N 1 0 285.413 1.669 20 70 CDIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(=O)n1C ZINC000160645594 364388598 /nfs/dbraw/zinc/38/85/98/364388598.db2.gz WEPLSSGABTXBOF-ZDUSSCGKSA-N 1 0 293.411 1.626 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2F)C1 ZINC000160769108 364408152 /nfs/dbraw/zinc/40/81/52/364408152.db2.gz MANCADTWXXKKES-DGCLKSJQSA-N 1 0 264.344 1.825 20 70 CDIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161510557 364505890 /nfs/dbraw/zinc/50/58/90/364505890.db2.gz GTUXJOOXYNRBHW-DUVNUKRYSA-N 1 0 276.380 1.614 20 70 CDIDRO O=S1(=O)CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218087575 367261059 /nfs/dbraw/zinc/26/10/59/367261059.db2.gz VGYWHNXGKZFCJO-LLVKDONJSA-N 1 0 278.377 1.692 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSC[C@H]1CCCCO1 ZINC000161320403 369908375 /nfs/dbraw/zinc/90/83/75/369908375.db2.gz VLSGDCVKIISTLB-CHWSQXEVSA-N 1 0 286.441 1.499 20 70 CDIDRO CCCn1nc(C)c(CN2CCC[C@@H]2C(N)=O)c1C ZINC000160311545 377057397 /nfs/dbraw/zinc/05/73/97/377057397.db2.gz OVTBOLBILSLTDM-CYBMUJFWSA-N 1 0 264.373 1.360 20 70 CDIDRO Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1C ZINC000160697873 377102190 /nfs/dbraw/zinc/10/21/90/377102190.db2.gz CJSWXBFAOXJAGX-UHFFFAOYSA-N 1 0 290.407 1.738 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(=O)n1C ZINC000160926747 377138757 /nfs/dbraw/zinc/13/87/57/377138757.db2.gz HAUFHEWQXWBFIB-CHWSQXEVSA-N 1 0 291.395 1.236 20 70 CDIDRO CO[C@H]1CCN(C(=O)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000161146820 391351104 /nfs/dbraw/zinc/35/11/04/391351104.db2.gz HDFHOZKIFYBFAE-OLZOCXBDSA-N 1 0 269.389 1.276 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000160003374 391737902 /nfs/dbraw/zinc/73/79/02/391737902.db2.gz OFAQHUWDESKNRA-ZDUSSCGKSA-N 1 0 291.399 1.004 20 70 CDIDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159942888 139907518 /nfs/dbraw/zinc/90/75/18/139907518.db2.gz JHCUWIDFTYFKIA-ZDUSSCGKSA-N 1 0 284.381 1.053 20 70 CDIDRO CS[C@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159739287 147704033 /nfs/dbraw/zinc/70/40/33/147704033.db2.gz CXTPGAIXCRTXQS-SNVBAGLBSA-N 1 0 256.415 1.729 20 70 CDIDRO CC(C)C[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000161477025 275599305 /nfs/dbraw/zinc/59/93/05/275599305.db2.gz AZWOAQIRDHCZQU-TZMCWYRMSA-N 1 0 256.365 1.973 20 70 CDIDRO CC1CCN(C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000160366068 278532868 /nfs/dbraw/zinc/53/28/68/278532868.db2.gz RKDWAIZMFBLPRI-UHFFFAOYSA-N 1 0 253.390 1.864 20 70 CDIDRO C[C@H](O)CC(C)(C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000160948012 279876888 /nfs/dbraw/zinc/87/68/88/279876888.db2.gz UAWUIMHYOHOUSS-NSHDSACASA-N 1 0 256.390 1.419 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000161205562 282072242 /nfs/dbraw/zinc/07/22/42/282072242.db2.gz IISQCHPPRLDDCP-NWDGAFQWSA-N 1 0 256.390 1.825 20 70 CDIDRO C[C@@H](CNC(=O)NC1(C)CCC1)C[NH+]1CCCC1 ZINC000159546465 292760932 /nfs/dbraw/zinc/76/09/32/292760932.db2.gz FECCMAIKEXQMDI-LBPRGKRZSA-N 1 0 253.390 1.960 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000160258713 292781999 /nfs/dbraw/zinc/78/19/99/292781999.db2.gz PLGMPXBBAKIYDI-CYBMUJFWSA-N 1 0 267.369 1.749 20 70 CDIDRO Cc1noc(Cl)c1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000160638237 292791452 /nfs/dbraw/zinc/79/14/52/292791452.db2.gz SXUOYGVCYXCAQV-UHFFFAOYSA-N 1 0 297.786 1.733 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082376 298944691 /nfs/dbraw/zinc/94/46/91/298944691.db2.gz LAUAIKCTWACRTE-YFKPBYRVSA-N 1 0 278.196 1.677 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000161159353 482268799 /nfs/dbraw/zinc/26/87/99/482268799.db2.gz DOKSECXFSCQEHI-NWDGAFQWSA-N 1 0 254.280 1.965 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2ncoc2-c2ccccc2)C1 ZINC000160252127 482790995 /nfs/dbraw/zinc/79/09/95/482790995.db2.gz GWTDMANFGITKNS-LLVKDONJSA-N 1 0 257.293 1.515 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000160920762 482841219 /nfs/dbraw/zinc/84/12/19/482841219.db2.gz LVKMJNFEPGSLOJ-NXEZZACHSA-N 1 0 254.280 1.965 20 70 CDIDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161132514 482863064 /nfs/dbraw/zinc/86/30/64/482863064.db2.gz VIEHZACACQJINK-WCQYABFASA-N 1 0 275.352 1.320 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC000161127391 482863395 /nfs/dbraw/zinc/86/33/95/482863395.db2.gz OUCXGVDLIUTJTD-ZJUUUORDSA-N 1 0 275.308 1.934 20 70 CDIDRO CCCN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670374 /nfs/dbraw/zinc/67/03/74/521670374.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 1 0 288.457 1.370 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000161075399 519589366 /nfs/dbraw/zinc/58/93/66/519589366.db2.gz MAVPFFZWWCMBKM-AWEZNQCLSA-N 1 0 297.443 1.387 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCN2CCC[C@H](C)C2)CC1 ZINC000161289555 519645122 /nfs/dbraw/zinc/64/51/22/519645122.db2.gz OYPJFUPSCCBWGL-JEYLPNPQSA-N 1 0 281.444 1.755 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCN(C)C(C)C)CC1 ZINC000161397902 519645393 /nfs/dbraw/zinc/64/53/93/519645393.db2.gz HPDDPJZPFZKDJZ-UHFFFAOYSA-N 1 0 255.406 1.364 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000161273716 522050107 /nfs/dbraw/zinc/05/01/07/522050107.db2.gz CJPVTBGSNPBOSQ-LBPRGKRZSA-N 1 0 258.325 1.387 20 70 CDIDRO COC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000161017939 522346793 /nfs/dbraw/zinc/34/67/93/522346793.db2.gz NASGYBQRKJLMCC-OAHLLOKOSA-N 1 0 292.379 1.326 20 70 CDIDRO C[N@H+](CCO)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160557875 522881534 /nfs/dbraw/zinc/88/15/34/522881534.db2.gz ZCNPBUYIEMLUOU-FUNVUKJBSA-N 1 0 284.400 1.841 20 70 CDIDRO CO[C@H]1CCN(Cc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000161000591 523997117 /nfs/dbraw/zinc/99/71/17/523997117.db2.gz KYPRWCPQSJGIIM-STQMWFEESA-N 1 0 270.323 1.903 20 70 CDIDRO CO[C@H]1CCN(Cc2cc(F)ccc2F)[C@H](C[NH3+])C1 ZINC000160981562 523997765 /nfs/dbraw/zinc/99/77/65/523997765.db2.gz CPQUJGCRVMCIQR-STQMWFEESA-N 1 0 270.323 1.903 20 70 CDIDRO C[C@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1F ZINC000160870111 525968196 /nfs/dbraw/zinc/96/81/96/525968196.db2.gz MKIWHAHAUFQRHW-NSHDSACASA-N 1 0 250.317 1.751 20 70 CDIDRO COC1(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000161432305 536522756 /nfs/dbraw/zinc/52/27/56/536522756.db2.gz LLVOKSYABQFEDC-QWHCGFSZSA-N 1 0 298.452 1.642 20 70 CDIDRO CC(C)S(=O)(=O)CCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000160851243 528296571 /nfs/dbraw/zinc/29/65/71/528296571.db2.gz DDUWAPQUQCOSHX-ZDUSSCGKSA-N 1 0 289.441 1.701 20 70 CDIDRO CCOCCO[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159636512 528818390 /nfs/dbraw/zinc/81/83/90/528818390.db2.gz IFXQCKBRZWDMNC-LBPRGKRZSA-N 1 0 272.389 1.206 20 70 CDIDRO O=C(COCC1CC1)NCC[NH2+]C1CCCCCC1 ZINC000159721557 361810051 /nfs/dbraw/zinc/81/00/51/361810051.db2.gz OGAQXGSVBNUPIU-UHFFFAOYSA-N 1 0 268.401 1.842 20 70 CDIDRO COC1(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000161068740 361826699 /nfs/dbraw/zinc/82/66/99/361826699.db2.gz QNDIBUDXSQYENS-ZIAGYGMSSA-N 1 0 280.412 1.840 20 70 CDIDRO CC(C)(C[NH2+]Cc1coc2ccccc12)NS(C)(=O)=O ZINC000159823725 539114756 /nfs/dbraw/zinc/11/47/56/539114756.db2.gz PFEFBVLHIQYDJO-UHFFFAOYSA-N 1 0 296.392 1.850 20 70 CDIDRO CCOC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160221816 362068322 /nfs/dbraw/zinc/06/83/22/362068322.db2.gz DBZYYSPPMIXAOH-CYBMUJFWSA-N 1 0 291.395 1.701 20 70 CDIDRO COc1ccc(C)cc1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000216785470 342439382 /nfs/dbraw/zinc/43/93/82/342439382.db2.gz FWVBPRFKTDMWMP-GFCCVEGCSA-N 1 0 262.353 1.366 20 70 CDIDRO COc1ccc2nc(C(=O)N3CC[NH2+]CC3)ccc2c1 ZINC000159395543 362318198 /nfs/dbraw/zinc/31/81/98/362318198.db2.gz NAYZSLAPKHPPMY-UHFFFAOYSA-N 1 0 271.320 1.289 20 70 CDIDRO Cc1cc(C)n(CC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000159467811 362325498 /nfs/dbraw/zinc/32/54/98/362325498.db2.gz QAEVGQMDSGJWOB-UHFFFAOYSA-N 1 0 264.373 1.278 20 70 CDIDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869953 362376884 /nfs/dbraw/zinc/37/68/84/362376884.db2.gz LFQLSTIDYJOGKP-GUBZILKMSA-N 1 0 281.322 1.113 20 70 CDIDRO C[NH2+]CCCN(C)Cc1cc2c(c(OC)c1)OCO2 ZINC000159990798 362385405 /nfs/dbraw/zinc/38/54/05/362385405.db2.gz UYFIYFNXBHKMFL-UHFFFAOYSA-N 1 0 266.341 1.465 20 70 CDIDRO [NH3+]C[C@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCO1 ZINC000160024183 362387829 /nfs/dbraw/zinc/38/78/29/362387829.db2.gz FWYOBBTYAHYPPT-LBPRGKRZSA-N 1 0 280.759 1.147 20 70 CDIDRO CN(CCC(=O)Nc1cccc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000160036020 362388026 /nfs/dbraw/zinc/38/80/26/362388026.db2.gz DFYQGPUILQZHIZ-CQSZACIVSA-N 1 0 279.359 1.823 20 70 CDIDRO CN(CC(=O)NCc1ccc(F)cc1)[C@H](C[NH3+])C1CC1 ZINC000160090954 362393866 /nfs/dbraw/zinc/39/38/66/362393866.db2.gz YTRFGVLZFYHPAU-CQSZACIVSA-N 1 0 279.359 1.111 20 70 CDIDRO [NH3+]CCCNC(=O)Cc1ccc(Br)s1 ZINC000160173769 362403009 /nfs/dbraw/zinc/40/30/09/362403009.db2.gz LFNLIZCTRGMCLQ-UHFFFAOYSA-N 1 0 277.187 1.518 20 70 CDIDRO CC[NH2+]CCNCc1cncc(Br)c1 ZINC000161289060 362407235 /nfs/dbraw/zinc/40/72/35/362407235.db2.gz CFMNCCXAPQVPEC-UHFFFAOYSA-N 1 0 258.163 1.543 20 70 CDIDRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(CO)CO ZINC000159564467 362425486 /nfs/dbraw/zinc/42/54/86/362425486.db2.gz HIQBLKBKHKHDNM-UONOGXRCSA-N 1 0 273.417 1.504 20 70 CDIDRO COc1cc(CCC(=O)NCC[NH+](C)C)ccc1Cl ZINC000160974490 362580515 /nfs/dbraw/zinc/58/05/15/362580515.db2.gz YKWVWBGOJZVRES-UHFFFAOYSA-N 1 0 284.787 1.959 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NCc1cc(C(C)C)no1 ZINC000160150085 345607528 /nfs/dbraw/zinc/60/75/28/345607528.db2.gz WIRTXIIWRLZKQY-SNVBAGLBSA-N 1 0 271.386 1.495 20 70 CDIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160716211 346220931 /nfs/dbraw/zinc/22/09/31/346220931.db2.gz SORLFPNESADPSQ-SMDDNHRTSA-N 1 0 265.401 1.911 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSCCC(C)C ZINC000161315403 362768880 /nfs/dbraw/zinc/76/88/80/362768880.db2.gz IAUJDWXNRTVTLP-LBPRGKRZSA-N 1 0 258.431 1.976 20 70 CDIDRO COCCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160762262 346579630 /nfs/dbraw/zinc/57/96/30/346579630.db2.gz WSYOZCKNRMFISA-HNNXBMFYSA-N 1 0 297.443 1.785 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C=CCCC2)CC1 ZINC000159976632 362926006 /nfs/dbraw/zinc/92/60/06/362926006.db2.gz AMKFHVHSKPZJQB-ZDUSSCGKSA-N 1 0 251.374 1.832 20 70 CDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc2nc[nH]c21 ZINC000159636418 363090716 /nfs/dbraw/zinc/09/07/16/363090716.db2.gz DQWHNGKEGYLFFH-AWEZNQCLSA-N 1 0 286.379 1.975 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]1 ZINC000161002660 188503043 /nfs/dbraw/zinc/50/30/43/188503043.db2.gz WFKTYKVDOWVVGG-LURJTMIESA-N 1 0 279.287 1.530 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@@H]2CCC[NH2+]C2)c1C ZINC000161384850 188524332 /nfs/dbraw/zinc/52/43/32/188524332.db2.gz JGFYQPZPSKQGMV-LLVKDONJSA-N 1 0 250.346 1.458 20 70 CDIDRO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000161423714 188526801 /nfs/dbraw/zinc/52/68/01/188526801.db2.gz BMAFTVCHAYUYKC-YUELXQCFSA-N 1 0 274.364 1.379 20 70 CDIDRO COC1(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC[NH2+]CC1 ZINC000159576111 359348651 /nfs/dbraw/zinc/34/86/51/359348651.db2.gz BMYKSELLHMVVCJ-VXGBXAGGSA-N 1 0 286.441 1.545 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000160159045 283470039 /nfs/dbraw/zinc/47/00/39/283470039.db2.gz JRUKBVVJNKKHQA-FDMDGMSGSA-N 1 0 296.374 1.835 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCCCc1cccc(F)c1 ZINC000159453997 361703166 /nfs/dbraw/zinc/70/31/66/361703166.db2.gz RMALHZXAUIQSRG-ZDUSSCGKSA-N 1 0 284.400 1.955 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000159500024 361721950 /nfs/dbraw/zinc/72/19/50/361721950.db2.gz WDTHVGVPHWWPHG-OLZOCXBDSA-N 1 0 268.401 1.694 20 70 CDIDRO C[C@@H](CNC(=O)NCC1(C)CCCC1)CN1CCOCC1 ZINC000159469967 361707495 /nfs/dbraw/zinc/70/74/95/361707495.db2.gz PMOXSPZMOPYOAW-AWEZNQCLSA-N 1 0 297.443 1.834 20 70 CDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000160549004 363986587 /nfs/dbraw/zinc/98/65/87/363986587.db2.gz XFIJPGSELSEPQZ-STQMWFEESA-N 1 0 297.443 1.467 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160645476 364118563 /nfs/dbraw/zinc/11/85/63/364118563.db2.gz DESGUIAFMSTAQQ-GJZGRUSLSA-N 1 0 295.427 1.681 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)NCc1ccco1)C(=O)OC ZINC000159660896 364247154 /nfs/dbraw/zinc/24/71/54/364247154.db2.gz ZQXVSNWZIQOBED-UHFFFAOYSA-N 1 0 296.367 1.465 20 70 CDIDRO [NH3+]C1(CNC(=O)c2ccc(-n3ccnc3)nc2)CCCCC1 ZINC000159706276 364254479 /nfs/dbraw/zinc/25/44/79/364254479.db2.gz SVLBSWBAVWOTDE-UHFFFAOYSA-N 1 0 299.378 1.659 20 70 CDIDRO CC(C)(C)n1cc(C[NH+]2CCC(CC(N)=O)CC2)cn1 ZINC000159840415 364272211 /nfs/dbraw/zinc/27/22/11/364272211.db2.gz FEEKZVGMMHBQHP-UHFFFAOYSA-N 1 0 278.400 1.726 20 70 CDIDRO CC(=O)Nc1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159929971 364282346 /nfs/dbraw/zinc/28/23/46/364282346.db2.gz CIWRWSUEZMTEFF-RMKNXTFCSA-N 1 0 275.352 1.512 20 70 CDIDRO CCO[C@@H](C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000159937740 364282955 /nfs/dbraw/zinc/28/29/55/364282955.db2.gz AKYRYSCZUZRVGA-GFCCVEGCSA-N 1 0 250.342 1.618 20 70 CDIDRO CC(C)[C@H](CCO)NC(=O)CN(C)Cc1ccccc1 ZINC000160652367 364407762 /nfs/dbraw/zinc/40/77/62/364407762.db2.gz JDGAWKUFFAHNJZ-HNNXBMFYSA-N 1 0 278.396 1.642 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000160736665 364403062 /nfs/dbraw/zinc/40/30/62/364403062.db2.gz FJFLUGHOCRKZDP-GFCCVEGCSA-N 1 0 270.336 1.511 20 70 CDIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000160962949 364433332 /nfs/dbraw/zinc/43/33/32/364433332.db2.gz OAXAEEKPVHNMRG-OCCSQVGLSA-N 1 0 292.379 1.326 20 70 CDIDRO CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000160977392 364435831 /nfs/dbraw/zinc/43/58/31/364435831.db2.gz GKRUKRMOBROJBQ-HUUCEWRRSA-N 1 0 294.395 1.607 20 70 CDIDRO CC1(C)[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]2CCO[C@@H]21 ZINC000161107150 364450221 /nfs/dbraw/zinc/45/02/21/364450221.db2.gz YCGCHJDKRMBYPP-RDBSUJKOSA-N 1 0 274.364 1.689 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000161388858 364488347 /nfs/dbraw/zinc/48/83/47/364488347.db2.gz PIAJITCARSWVFB-ZDUSSCGKSA-N 1 0 263.341 1.591 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000161198944 367580661 /nfs/dbraw/zinc/58/06/61/367580661.db2.gz IOAOPFQJVYIQOW-QWRGUYRKSA-N 1 0 298.333 1.943 20 70 CDIDRO O=C(NC1(c2cccc(Cl)c2)CC1)[C@H]1C[NH2+]CCO1 ZINC000160523024 377084278 /nfs/dbraw/zinc/08/42/78/377084278.db2.gz AOHJWFVQLHFBMN-GFCCVEGCSA-N 1 0 280.755 1.434 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)NCCCOCC1CCOCC1 ZINC000160583106 377087664 /nfs/dbraw/zinc/08/76/64/377087664.db2.gz CLQSAMOJJPNQOA-AWEZNQCLSA-N 1 0 284.400 1.078 20 70 CDIDRO Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160687641 377102271 /nfs/dbraw/zinc/10/22/71/377102271.db2.gz WWILHBIMXFQRHK-UHFFFAOYSA-N 1 0 276.380 1.429 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)C1CC1 ZINC000161213755 377471271 /nfs/dbraw/zinc/47/12/71/377471271.db2.gz LOQVCINYLTYXPF-CQSZACIVSA-N 1 0 299.378 1.542 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000161511137 377699178 /nfs/dbraw/zinc/69/91/78/377699178.db2.gz QDOWYDAKRWLUFH-LLVKDONJSA-N 1 0 263.341 1.167 20 70 CDIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC(N)=O)CCO2 ZINC000161374085 390959281 /nfs/dbraw/zinc/95/92/81/390959281.db2.gz VBOMIKNYNUHUGT-SKDRFNHKSA-N 1 0 264.325 1.372 20 70 CDIDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160646925 391522611 /nfs/dbraw/zinc/52/26/11/391522611.db2.gz ZLAGWXRUXVWOJF-IIAWOOMASA-N 1 0 285.428 1.789 20 70 CDIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160878271 391573833 /nfs/dbraw/zinc/57/38/33/391573833.db2.gz ZNTGBYBGNWCRCY-LLVKDONJSA-N 1 0 251.374 1.807 20 70 CDIDRO CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000159849181 139907254 /nfs/dbraw/zinc/90/72/54/139907254.db2.gz VACIDIZWNFXBSK-HNNXBMFYSA-N 1 0 284.363 1.682 20 70 CDIDRO Cc1cccc(C)c1OCCCNC(=O)NCC[NH+](C)C ZINC000217298270 140164035 /nfs/dbraw/zinc/16/40/35/140164035.db2.gz WMIRMHWBGQFZFD-UHFFFAOYSA-N 1 0 293.411 1.933 20 70 CDIDRO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000217614319 140164844 /nfs/dbraw/zinc/16/48/44/140164844.db2.gz OTJYBOBLTVNIHM-ZIAGYGMSSA-N 1 0 268.401 1.482 20 70 CDIDRO CCSCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000160225640 147714360 /nfs/dbraw/zinc/71/43/60/147714360.db2.gz LJCWWPMSCHWYGR-MXWKQRLJSA-N 1 0 260.403 1.141 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000161103514 286055839 /nfs/dbraw/zinc/05/58/39/286055839.db2.gz RYKOOGWRHMARPH-OLZOCXBDSA-N 1 0 266.316 1.404 20 70 CDIDRO COCCC1(CNC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000161085979 292302864 /nfs/dbraw/zinc/30/28/64/292302864.db2.gz GWHKLRZBFFBGCC-UHFFFAOYSA-N 1 0 297.443 1.786 20 70 CDIDRO CC1CCN(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000160651045 276194271 /nfs/dbraw/zinc/19/42/71/276194271.db2.gz ONKUBDKPHBKHKW-CYBMUJFWSA-N 1 0 253.390 1.864 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000160477859 277300955 /nfs/dbraw/zinc/30/09/55/277300955.db2.gz VSAXSVIDQAWKCC-YPMHNXCESA-N 1 0 294.782 1.711 20 70 CDIDRO COC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C(C)C ZINC000160508192 277600815 /nfs/dbraw/zinc/60/08/15/277600815.db2.gz LFTJEUIYDVEICK-RYUDHWBXSA-N 1 0 252.362 1.162 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000160846235 279177816 /nfs/dbraw/zinc/17/78/16/279177816.db2.gz ANYDORKVDLOOFS-OUCADQQQSA-N 1 0 256.390 1.417 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160394257 279651837 /nfs/dbraw/zinc/65/18/37/279651837.db2.gz ZFPVMVLTKBHQPH-GFCCVEGCSA-N 1 0 289.379 1.207 20 70 CDIDRO CCC(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159503331 281872474 /nfs/dbraw/zinc/87/24/74/281872474.db2.gz SZQSZOHMQMKFNQ-HZSPNIEDSA-N 1 0 293.411 1.130 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 ZINC000161127285 482862457 /nfs/dbraw/zinc/86/24/57/482862457.db2.gz OUCXGVDLIUTJTD-NXEZZACHSA-N 1 0 275.308 1.934 20 70 CDIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)(C)C ZINC000161301703 482872471 /nfs/dbraw/zinc/87/24/71/482872471.db2.gz TVMHOVCVMGOSKA-VXGBXAGGSA-N 1 0 278.400 1.946 20 70 CDIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1C(C)(C)C ZINC000161286815 482872929 /nfs/dbraw/zinc/87/29/29/482872929.db2.gz ICDWTNZBIRGIGO-VXGBXAGGSA-N 1 0 278.400 1.946 20 70 CDIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCC[NH3+])c1 ZINC000160119126 534010847 /nfs/dbraw/zinc/01/08/47/534010847.db2.gz LXFMNDFCASRFKO-ZWNOBZJWSA-N 1 0 275.352 1.360 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000161389107 519645288 /nfs/dbraw/zinc/64/52/88/519645288.db2.gz QMHBNUSCVCNLFO-RUXDESIVSA-N 1 0 254.374 1.592 20 70 CDIDRO CC(=O)c1ccc(SCC(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000160308384 527338400 /nfs/dbraw/zinc/33/84/00/527338400.db2.gz QSTFUKGMIPPPEO-SNVBAGLBSA-N 1 0 296.367 1.680 20 70 CDIDRO CN(C(=O)c1cccc2[nH]ccc21)[C@@H](C[NH3+])C1CC1 ZINC000159832934 342072775 /nfs/dbraw/zinc/07/27/75/342072775.db2.gz OZTLBUGORVEQBA-AWEZNQCLSA-N 1 0 257.337 1.977 20 70 CDIDRO CC[C@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)[NH+](C)C ZINC000159833310 539114754 /nfs/dbraw/zinc/11/47/54/539114754.db2.gz DSTRNGCJPKIAFN-SNVBAGLBSA-N 1 0 271.748 1.317 20 70 CDIDRO CC[C@H](O)CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161006743 529692198 /nfs/dbraw/zinc/69/21/98/529692198.db2.gz HMFDHRFJURCZKS-CABCVRRESA-N 1 0 299.459 1.957 20 70 CDIDRO CCOC(=O)N(C)C1CC[NH+](CC(OC)OC)CC1 ZINC000160847994 362188928 /nfs/dbraw/zinc/18/89/28/362188928.db2.gz XXAJAKUBIYINEW-UHFFFAOYSA-N 1 0 274.361 1.158 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N3CCC[C@@H]3C[NH3+])cc12 ZINC000160274619 282291159 /nfs/dbraw/zinc/29/11/59/282291159.db2.gz NZWYMAGXLAJGQT-SECBINFHSA-N 1 0 278.381 1.507 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000161251709 362260283 /nfs/dbraw/zinc/26/02/83/362260283.db2.gz PHFJUWRCNKLDIB-NWDGAFQWSA-N 1 0 272.389 1.062 20 70 CDIDRO CC[C@@H]1CCCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159371394 362316032 /nfs/dbraw/zinc/31/60/32/362316032.db2.gz QAFVEMYRLPFZAF-KGLIPLIRSA-N 1 0 268.401 1.936 20 70 CDIDRO C[C@H](C[NH2+]Cc1cncc(Br)c1)N(C)C ZINC000160570488 362445350 /nfs/dbraw/zinc/44/53/50/362445350.db2.gz VNBFPEHWXUJJEV-SECBINFHSA-N 1 0 272.190 1.884 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[C@@H](C)O ZINC000160983606 362585262 /nfs/dbraw/zinc/58/52/62/362585262.db2.gz CYCMBMKYJUVMBR-KGLIPLIRSA-N 1 0 285.432 1.567 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2[nH]c(=O)oc21)C1CC1 ZINC000159578850 362938686 /nfs/dbraw/zinc/93/86/86/362938686.db2.gz IMLGHDHWVVUIQB-LBPRGKRZSA-N 1 0 289.335 1.191 20 70 CDIDRO CCOCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159594925 363038782 /nfs/dbraw/zinc/03/87/82/363038782.db2.gz ZNSCNUGPXSMOGL-IHRRRGAJSA-N 1 0 286.416 1.011 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000160375359 358602475 /nfs/dbraw/zinc/60/24/75/358602475.db2.gz JMKAZTYQVSJVHO-CABCVRRESA-N 1 0 298.427 1.515 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000160430403 237178081 /nfs/dbraw/zinc/17/80/81/237178081.db2.gz VKMIXVGRHXPDJC-GFCCVEGCSA-N 1 0 266.341 1.165 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160569541 359652099 /nfs/dbraw/zinc/65/20/99/359652099.db2.gz ZQABAOBVFJXDJC-GHMZBOCLSA-N 1 0 258.325 1.397 20 70 CDIDRO COc1ccc(OC)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159881500 359821036 /nfs/dbraw/zinc/82/10/36/359821036.db2.gz BWRYRGNHFPTRBH-CYBMUJFWSA-N 1 0 278.352 1.513 20 70 CDIDRO CN1C(=O)CC[C@@H]([NH2+]Cc2coc3ccccc23)C1=O ZINC000161107849 360917032 /nfs/dbraw/zinc/91/70/32/360917032.db2.gz HGSZLMIUWSNSBB-GFCCVEGCSA-N 1 0 272.304 1.670 20 70 CDIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H](C)[NH3+] ZINC000160831120 361255820 /nfs/dbraw/zinc/25/58/20/361255820.db2.gz TUVZNLOISCRUEA-SMDDNHRTSA-N 1 0 282.359 1.691 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)C12CCCC2 ZINC000159554827 361729371 /nfs/dbraw/zinc/72/93/71/361729371.db2.gz PZIXKUFMWSNGFB-KBPBESRZSA-N 1 0 280.412 1.840 20 70 CDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000159567751 364235341 /nfs/dbraw/zinc/23/53/41/364235341.db2.gz VKXHTEJATFWNDF-JTQLQIEISA-N 1 0 294.399 1.788 20 70 CDIDRO Clc1ccc(N2CC[NH+](CCn3ccnc3)CC2)nc1 ZINC000159777920 364264018 /nfs/dbraw/zinc/26/40/18/364264018.db2.gz WEZCGCALNRYVKD-UHFFFAOYSA-N 1 0 291.786 1.754 20 70 CDIDRO CC(=O)c1ccc(NC(=O)[C@H](C)N(C)C[C@@H](C)O)cc1 ZINC000159511495 364223674 /nfs/dbraw/zinc/22/36/74/364223674.db2.gz RXJLFCQMEGIMEE-MNOVXSKESA-N 1 0 278.352 1.529 20 70 CDIDRO Cc1c(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000160222914 364321253 /nfs/dbraw/zinc/32/12/53/364321253.db2.gz GSUQNPZZAUERRC-GFCCVEGCSA-N 1 0 293.415 1.260 20 70 CDIDRO C[NH+]1CCC(NC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000160246169 364324490 /nfs/dbraw/zinc/32/44/90/364324490.db2.gz HAGNLHHDLRBUSW-UHFFFAOYSA-N 1 0 285.351 1.091 20 70 CDIDRO CCn1nc(C)c(NC(=O)C[NH2+]C[C@H]2CCCO2)c1C ZINC000160321160 364333999 /nfs/dbraw/zinc/33/39/99/364333999.db2.gz KTUUJNBJJJGBQW-GFCCVEGCSA-N 1 0 280.372 1.227 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 ZINC000160326046 364335845 /nfs/dbraw/zinc/33/58/45/364335845.db2.gz UBTQLMZNMYKQAQ-JTQLQIEISA-N 1 0 266.366 1.384 20 70 CDIDRO COc1cccc(SCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160351405 364337818 /nfs/dbraw/zinc/33/78/18/364337818.db2.gz SKXDTQLTLOSQGU-LLVKDONJSA-N 1 0 280.393 1.737 20 70 CDIDRO [NH3+]CCCNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000160049312 364298453 /nfs/dbraw/zinc/29/84/53/364298453.db2.gz WUDFKICLIUIRSI-UHFFFAOYSA-N 1 0 284.363 1.440 20 70 CDIDRO COc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)nn1 ZINC000160043994 364299394 /nfs/dbraw/zinc/29/93/94/364299394.db2.gz DGOADKUDBZWARJ-LLVKDONJSA-N 1 0 280.372 1.191 20 70 CDIDRO [NH3+]CCCNC(=O)CSc1nc2ccccc2s1 ZINC000160094419 364305630 /nfs/dbraw/zinc/30/56/30/364305630.db2.gz ZBNIKSKCDATXFH-UHFFFAOYSA-N 1 0 281.406 1.853 20 70 CDIDRO COc1ccccc1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160161055 364312844 /nfs/dbraw/zinc/31/28/44/364312844.db2.gz RANGXJJOUMJSHU-CYBMUJFWSA-N 1 0 262.353 1.578 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000160485143 364360163 /nfs/dbraw/zinc/36/01/63/364360163.db2.gz CQEBHRGWTHLNFF-CQSZACIVSA-N 1 0 296.798 1.917 20 70 CDIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000160542335 364370966 /nfs/dbraw/zinc/37/09/66/364370966.db2.gz ZLRBKUUBRYIHMU-QWHCGFSZSA-N 1 0 296.436 1.815 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000161313383 364475819 /nfs/dbraw/zinc/47/58/19/364475819.db2.gz MQYNBJCKVYFDKO-KBPBESRZSA-N 1 0 283.393 1.021 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCCC[C@@H]1O ZINC000160880305 284054571 /nfs/dbraw/zinc/05/45/71/284054571.db2.gz VXVUNLBPFFWGLB-YUELXQCFSA-N 1 0 295.427 1.606 20 70 CDIDRO C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 ZINC000218516819 372148208 /nfs/dbraw/zinc/14/82/08/372148208.db2.gz ZYIVSBNMMMKPAF-JHJVBQTASA-N 1 0 284.400 1.169 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161505205 375649569 /nfs/dbraw/zinc/64/95/69/375649569.db2.gz CSZZAHBVFZQOFB-SKDRFNHKSA-N 1 0 250.298 1.140 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)COCCOc1ccccc1 ZINC000160417001 377062133 /nfs/dbraw/zinc/06/21/33/377062133.db2.gz ZULDKSRXANRYQD-UHFFFAOYSA-N 1 0 294.395 1.716 20 70 CDIDRO O=C(CC1CCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160630041 377100000 /nfs/dbraw/zinc/10/00/00/377100000.db2.gz AHFVNGVVNGOZTG-UHFFFAOYSA-N 1 0 268.401 1.387 20 70 CDIDRO CCC[N@H+](CCO)Cc1cnc(N2CCOCC2)s1 ZINC000161201755 377476981 /nfs/dbraw/zinc/47/69/81/377476981.db2.gz NYLNMEPOEITPKL-UHFFFAOYSA-N 1 0 285.413 1.184 20 70 CDIDRO C[C@H](C[NH2+]C[C@H](O)COCc1cccs1)N(C)C1CC1 ZINC000218709502 412949032 /nfs/dbraw/zinc/94/90/32/412949032.db2.gz JPMGQBKXTAMYJX-OCCSQVGLSA-N 1 0 298.452 1.698 20 70 CDIDRO COCCC1(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161165175 390953549 /nfs/dbraw/zinc/95/35/49/390953549.db2.gz HGIGOPZRTFWRRN-ZDUSSCGKSA-N 1 0 283.416 1.539 20 70 CDIDRO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[NH2+]CC1)C2 ZINC000160881186 292002569 /nfs/dbraw/zinc/00/25/69/292002569.db2.gz LOILXOACVAQPOO-OAHLLOKOSA-N 1 0 274.364 1.429 20 70 CDIDRO COc1cc(OC)nc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000159809862 139905300 /nfs/dbraw/zinc/90/53/00/139905300.db2.gz CXKLACYNXNSJNT-UHFFFAOYSA-N 1 0 292.383 1.462 20 70 CDIDRO CN(CC(=O)Nc1ccccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160092363 139909339 /nfs/dbraw/zinc/90/93/39/139909339.db2.gz SJSIJVWDSYMLPP-CYBMUJFWSA-N 1 0 281.787 1.948 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159836462 274234595 /nfs/dbraw/zinc/23/45/95/274234595.db2.gz XPRIDRFWKZHZEQ-CWSCBRNRSA-N 1 0 282.771 1.976 20 70 CDIDRO CC1CCN(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000160681782 276194375 /nfs/dbraw/zinc/19/43/75/276194375.db2.gz IECBAWKEVRXDCT-ZDUSSCGKSA-N 1 0 251.374 1.618 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1C ZINC000161161940 277285361 /nfs/dbraw/zinc/28/53/61/277285361.db2.gz FKDNVIMUMORKHA-GFCCVEGCSA-N 1 0 278.400 1.771 20 70 CDIDRO CC[NH+](CC)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159888752 279090924 /nfs/dbraw/zinc/09/09/24/279090924.db2.gz CFQFXJXDBSAAKV-CYBMUJFWSA-N 1 0 268.401 1.936 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161244272 279393001 /nfs/dbraw/zinc/39/30/01/279393001.db2.gz HWCLCLXFSSFXBM-JBLDHEPKSA-N 1 0 250.317 1.877 20 70 CDIDRO Cc1ccc([C@H]2CSCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000160771033 281003308 /nfs/dbraw/zinc/00/33/08/281003308.db2.gz TWVVWORUAFJEAV-DGCLKSJQSA-N 1 0 264.394 1.959 20 70 CDIDRO CC(C)OCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000160378654 482796650 /nfs/dbraw/zinc/79/66/50/482796650.db2.gz WOBFHJMEUQIALT-AWEZNQCLSA-N 1 0 262.353 1.415 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC000160971284 482846190 /nfs/dbraw/zinc/84/61/90/482846190.db2.gz DYRJNRZUEGJVBY-DTWKUNHWSA-N 1 0 254.280 1.965 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000161102557 482861260 /nfs/dbraw/zinc/86/12/60/482861260.db2.gz ULTJYLCEOYSABV-ZJUUUORDSA-N 1 0 292.408 1.943 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000161022227 519817546 /nfs/dbraw/zinc/81/75/46/519817546.db2.gz TYGZJYNOYVNVMO-WLTAIBSBSA-N 1 0 268.307 1.920 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000160382999 519848649 /nfs/dbraw/zinc/84/86/49/519848649.db2.gz SWCKNQNQVDFQMM-UHFFFAOYSA-N 1 0 297.443 1.627 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)CCOC(C)C)CC1 ZINC000160399491 519848893 /nfs/dbraw/zinc/84/88/93/519848893.db2.gz LCHNZIIBDCDHIN-UHFFFAOYSA-N 1 0 256.390 1.746 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160334442 526479839 /nfs/dbraw/zinc/47/98/39/526479839.db2.gz FNZXVDFMTGRSMH-GFCCVEGCSA-N 1 0 275.352 1.750 20 70 CDIDRO c1ncn([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000160981073 526618255 /nfs/dbraw/zinc/61/82/55/526618255.db2.gz ZNYVQSKCKCYFRL-OAHLLOKOSA-N 1 0 277.416 1.791 20 70 CDIDRO Cn1cnnc1[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161463999 527535860 /nfs/dbraw/zinc/53/58/60/527535860.db2.gz OGNMUFXBDBRCBC-CQSZACIVSA-N 1 0 277.416 1.828 20 70 CDIDRO CCC(=O)N1CSC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159497759 528389246 /nfs/dbraw/zinc/38/92/46/528389246.db2.gz AXCWLIBSPGOYHS-NSHDSACASA-N 1 0 299.440 1.076 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000160553387 528945415 /nfs/dbraw/zinc/94/54/15/528945415.db2.gz JHFSWLGGXQWEJE-GFCCVEGCSA-N 1 0 266.389 1.695 20 70 CDIDRO CO[C@@H]1CCN(C(=O)CC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000161065166 342073064 /nfs/dbraw/zinc/07/30/64/342073064.db2.gz CFNWIKVNTCZEFS-CHWSQXEVSA-N 1 0 286.441 1.484 20 70 CDIDRO O=C(c1ccc(Cl)cn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000217747878 342439584 /nfs/dbraw/zinc/43/95/84/342439584.db2.gz KTJSFTMRFMDQKY-KCJUWKMLSA-N 1 0 251.717 1.169 20 70 CDIDRO CC[C@H](OC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160536343 529716066 /nfs/dbraw/zinc/71/60/66/529716066.db2.gz AKXNCISKFUEZIR-AAEUAGOBSA-N 1 0 254.374 1.545 20 70 CDIDRO O=C(c1ccc(F)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159398699 362318614 /nfs/dbraw/zinc/31/86/14/362318614.db2.gz JANYYCWKSHIHSL-AWEZNQCLSA-N 1 0 266.291 1.790 20 70 CDIDRO COC(=O)c1cccc(CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160006252 362386366 /nfs/dbraw/zinc/38/63/66/362386366.db2.gz PXSOLPMOUTVNMD-AWEZNQCLSA-N 1 0 262.353 1.642 20 70 CDIDRO CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161032867 362500449 /nfs/dbraw/zinc/50/04/49/362500449.db2.gz DNUGJOCNVUPKAB-AWEZNQCLSA-N 1 0 268.401 1.746 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)CCO ZINC000160963446 362575463 /nfs/dbraw/zinc/57/54/63/362575463.db2.gz FZFNNONJFOSPIQ-GJZGRUSLSA-N 1 0 299.459 1.815 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COCCc1ccccc1 ZINC000161349295 362789826 /nfs/dbraw/zinc/78/98/26/362789826.db2.gz RDJIFCNMPWMLJJ-HNNXBMFYSA-N 1 0 276.380 1.456 20 70 CDIDRO Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000159843619 188444171 /nfs/dbraw/zinc/44/41/71/188444171.db2.gz IXMVTVIMDNGKTC-GXTWGEPZSA-N 1 0 262.353 1.144 20 70 CDIDRO Cc1cc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH3+])C3)c2C)no1 ZINC000160252275 188461812 /nfs/dbraw/zinc/46/18/12/188461812.db2.gz XDRQSPUMLGLDRU-GFCCVEGCSA-N 1 0 288.351 1.564 20 70 CDIDRO CC[NH+](CC)CCCNC(=O)NC[C@@H](O)c1ccsc1 ZINC000160872523 188495060 /nfs/dbraw/zinc/49/50/60/188495060.db2.gz SYIPJWHOWQMGLY-CYBMUJFWSA-N 1 0 299.440 1.813 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]2C)CC1 ZINC000159826763 363355823 /nfs/dbraw/zinc/35/58/23/363355823.db2.gz VXMLTFDWRCCDID-STQMWFEESA-N 1 0 253.390 1.912 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCSC1 ZINC000159427141 358521130 /nfs/dbraw/zinc/52/11/30/358521130.db2.gz NGWGFHRUMDQZLT-LBPRGKRZSA-N 1 0 273.446 1.864 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000160375483 358602608 /nfs/dbraw/zinc/60/26/08/358602608.db2.gz JMKAZTYQVSJVHO-GJZGRUSLSA-N 1 0 298.427 1.515 20 70 CDIDRO [NH3+]CCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000217244911 283437744 /nfs/dbraw/zinc/43/77/44/283437744.db2.gz KXFVCVXNDOBWNG-UHFFFAOYSA-N 1 0 283.169 1.556 20 70 CDIDRO COc1ccc(CCNC(=O)[C@@H](C)[NH3+])c(Cl)c1 ZINC000160600646 359695670 /nfs/dbraw/zinc/69/56/70/359695670.db2.gz MAFADJXSQLGEPC-MRVPVSSYSA-N 1 0 256.733 1.355 20 70 CDIDRO CN1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@H](C[NH3+])C1 ZINC000160208871 363757773 /nfs/dbraw/zinc/75/77/73/363757773.db2.gz LYQOWFZPQJAFTO-BAPHQMLMSA-N 1 0 291.439 1.160 20 70 CDIDRO CCCCOCCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159516737 361725174 /nfs/dbraw/zinc/72/51/74/361725174.db2.gz JUFPZZQSQHFQEE-UHFFFAOYSA-N 1 0 285.432 1.930 20 70 CDIDRO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)o1 ZINC000159561549 364235644 /nfs/dbraw/zinc/23/56/44/364235644.db2.gz OZNMGRZGWKGCFR-PWSUYJOCSA-N 1 0 267.325 1.659 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159703620 364255010 /nfs/dbraw/zinc/25/50/10/364255010.db2.gz PQPHNIPLGMSMNM-HUUCEWRRSA-N 1 0 276.380 1.975 20 70 CDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000159714003 364256135 /nfs/dbraw/zinc/25/61/35/364256135.db2.gz AJVKBRPDFLZRCB-MFKMUULPSA-N 1 0 294.399 1.788 20 70 CDIDRO Cc1csc([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000159744526 364260912 /nfs/dbraw/zinc/26/09/12/364260912.db2.gz VLSQGJUYQUWXKD-MWLCHTKSSA-N 1 0 267.398 1.765 20 70 CDIDRO CCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159781377 364264272 /nfs/dbraw/zinc/26/42/72/364264272.db2.gz NGUMRDMHAKOBFK-GFCCVEGCSA-N 1 0 250.346 1.257 20 70 CDIDRO Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160268767 364327999 /nfs/dbraw/zinc/32/79/99/364327999.db2.gz UCHWJKXYMXDGRS-CQSZACIVSA-N 1 0 274.364 1.908 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000160356962 364339549 /nfs/dbraw/zinc/33/95/49/364339549.db2.gz IHLMZLLKBARVDZ-UWVGGRQHSA-N 1 0 293.342 1.593 20 70 CDIDRO CC(C)([NH3+])CNC(=O)COc1ccc(F)cc1Cl ZINC000159928510 364282430 /nfs/dbraw/zinc/28/24/30/364282430.db2.gz OOEXNJJWRVWRNI-UHFFFAOYSA-N 1 0 274.723 1.711 20 70 CDIDRO COc1cc(F)c([C@H](C)NC(=O)[C@H](C)[NH3+])cc1OC ZINC000159962283 364287833 /nfs/dbraw/zinc/28/78/33/364287833.db2.gz CEMLASOCGWZGNT-YUMQZZPRSA-N 1 0 270.304 1.367 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000159984414 364288471 /nfs/dbraw/zinc/28/84/71/364288471.db2.gz QQZCHLLKRIZXBD-LLVKDONJSA-N 1 0 268.382 1.325 20 70 CDIDRO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000159978537 364289619 /nfs/dbraw/zinc/28/96/19/364289619.db2.gz ZBKNCFFKVJWXPX-JSGCOSHPSA-N 1 0 289.379 1.061 20 70 CDIDRO Cc1ccc(C2(C(=O)NCCC[NH3+])CCOCC2)cc1 ZINC000160061916 364300802 /nfs/dbraw/zinc/30/08/02/364300802.db2.gz PHZHORGGHFHVCG-UHFFFAOYSA-N 1 0 276.380 1.508 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000160197446 364316094 /nfs/dbraw/zinc/31/60/94/364316094.db2.gz GAKFRUSJCISMKX-CHWSQXEVSA-N 1 0 292.379 1.708 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000160469822 364357383 /nfs/dbraw/zinc/35/73/83/364357383.db2.gz MWVZCEJLVJXAFM-VIFPVBQESA-N 1 0 276.365 1.572 20 70 CDIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000161005969 364436830 /nfs/dbraw/zinc/43/68/30/364436830.db2.gz GMZNIDXWYGEAHW-CQSZACIVSA-N 1 0 291.395 1.426 20 70 CDIDRO COCCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160930800 364429184 /nfs/dbraw/zinc/42/91/84/364429184.db2.gz NWXHYCIWAHLVHJ-ZDUSSCGKSA-N 1 0 294.395 1.887 20 70 CDIDRO CCc1ccc(N2CC[NH+](CC(OC)OC)CC2)cc1 ZINC000161324016 364477948 /nfs/dbraw/zinc/47/79/48/364477948.db2.gz BHYWZSGSXUSWSA-UHFFFAOYSA-N 1 0 278.396 1.990 20 70 CDIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CCC1CCOCC1 ZINC000160354955 391508206 /nfs/dbraw/zinc/50/82/06/391508206.db2.gz RCISVOYNUALGMK-DGCLKSJQSA-N 1 0 256.390 1.635 20 70 CDIDRO CC[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCCC1 ZINC000161273528 391586519 /nfs/dbraw/zinc/58/65/19/391586519.db2.gz UWCGIEJJZVKYJP-UYSNPLJNSA-N 1 0 281.444 1.898 20 70 CDIDRO Cc1ccc(F)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159935728 139908704 /nfs/dbraw/zinc/90/87/04/139908704.db2.gz HNCVKUALLCFPQS-GFCCVEGCSA-N 1 0 286.372 1.492 20 70 CDIDRO CCOC[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160066346 147709670 /nfs/dbraw/zinc/70/96/70/147709670.db2.gz IFTHTMZFIRHMQL-QWHCGFSZSA-N 1 0 254.374 1.261 20 70 CDIDRO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)Oc1ccccc1F ZINC000161163846 264272422 /nfs/dbraw/zinc/27/24/22/264272422.db2.gz NXFQVZNHNRTVBF-GHMZBOCLSA-N 1 0 266.316 1.319 20 70 CDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000159974630 275551752 /nfs/dbraw/zinc/55/17/52/275551752.db2.gz NBYDQBVLAXNSQZ-NSHDSACASA-N 1 0 293.367 1.128 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C(C)=O)cn1C ZINC000161217463 277028232 /nfs/dbraw/zinc/02/82/32/277028232.db2.gz UUHPQQMFFLXSBM-LBPRGKRZSA-N 1 0 263.341 1.052 20 70 CDIDRO CC(C)(C)C(=O)NCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159607260 278289588 /nfs/dbraw/zinc/28/95/88/278289588.db2.gz DVFGZEIQJLJQIG-UHFFFAOYSA-N 1 0 297.443 1.707 20 70 CDIDRO CC[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC000161279711 280068705 /nfs/dbraw/zinc/06/87/05/280068705.db2.gz AJEFBNATXNRADO-AWEZNQCLSA-N 1 0 295.427 1.330 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159617062 292763369 /nfs/dbraw/zinc/76/33/69/292763369.db2.gz MQQJDGZMLDGLHY-VXGBXAGGSA-N 1 0 273.446 1.912 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC000160765499 482358766 /nfs/dbraw/zinc/35/87/66/482358766.db2.gz ZDESHKZAHLVCDR-KGLIPLIRSA-N 1 0 258.365 1.927 20 70 CDIDRO CO[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000159490034 482671914 /nfs/dbraw/zinc/67/19/14/482671914.db2.gz KEYIRYUSFHLYMT-STQMWFEESA-N 1 0 282.771 1.896 20 70 CDIDRO COc1ccc(COCCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160216203 482790329 /nfs/dbraw/zinc/79/03/29/482790329.db2.gz UBYBWIITNHCKAB-CQSZACIVSA-N 1 0 292.379 1.552 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC000160765257 482823055 /nfs/dbraw/zinc/82/30/55/482823055.db2.gz ZDESHKZAHLVCDR-KBPBESRZSA-N 1 0 258.365 1.927 20 70 CDIDRO CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160879305 482834726 /nfs/dbraw/zinc/83/47/26/482834726.db2.gz KQKREULNWUWBFJ-RYUDHWBXSA-N 1 0 283.416 1.315 20 70 CDIDRO CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160933150 482843980 /nfs/dbraw/zinc/84/39/80/482843980.db2.gz UPIRRYNIINZQJO-MNOVXSKESA-N 1 0 296.392 1.090 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000161159515 482866520 /nfs/dbraw/zinc/86/65/20/482866520.db2.gz DOKSECXFSCQEHI-VXGBXAGGSA-N 1 0 254.280 1.965 20 70 CDIDRO CCc1nnsc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161347185 482875193 /nfs/dbraw/zinc/87/51/93/482875193.db2.gz LVJVIAVJZXDVPJ-JGVFFNPUSA-N 1 0 254.359 1.100 20 70 CDIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)on1 ZINC000161313760 522420760 /nfs/dbraw/zinc/42/07/60/522420760.db2.gz AJTXDMGIEUVHRN-GHMZBOCLSA-N 1 0 265.357 1.870 20 70 CDIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000161420757 523061808 /nfs/dbraw/zinc/06/18/08/523061808.db2.gz LVVJRACEKKTJSB-QWHCGFSZSA-N 1 0 276.446 1.874 20 70 CDIDRO CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160195106 526962694 /nfs/dbraw/zinc/96/26/94/526962694.db2.gz YYVNDVOIKWSMDK-CQSZACIVSA-N 1 0 275.352 1.137 20 70 CDIDRO CC1(C)CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000161044640 528926788 /nfs/dbraw/zinc/92/67/88/528926788.db2.gz GLNVJWQJJVZKDY-ZDUSSCGKSA-N 1 0 268.401 1.794 20 70 CDIDRO CN(CCC1CCOCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160352700 536325594 /nfs/dbraw/zinc/32/55/94/536325594.db2.gz MPCVBHFTZCQLHQ-ZIAGYGMSSA-N 1 0 268.401 1.779 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(CC(F)F)CC1)CC2 ZINC000160432570 342482944 /nfs/dbraw/zinc/48/29/44/342482944.db2.gz HICIIYJVJHTPPM-GFCCVEGCSA-N 1 0 299.369 1.220 20 70 CDIDRO CC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n(C)c1 ZINC000160902522 539086270 /nfs/dbraw/zinc/08/62/70/539086270.db2.gz IDTJNWRBAQEBBH-NEPJUHHUSA-N 1 0 263.341 1.227 20 70 CDIDRO CCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)n1 ZINC000159780588 398216749 /nfs/dbraw/zinc/21/67/49/398216749.db2.gz GRUFKOZEYKNQRN-UHFFFAOYSA-N 1 0 277.368 1.568 20 70 CDIDRO C[NH2+]CC(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000160899872 361738202 /nfs/dbraw/zinc/73/82/02/361738202.db2.gz FBKFEGXOYOUXTD-UHFFFAOYSA-N 1 0 292.379 1.852 20 70 CDIDRO OCC1(C[NH2+]C[C@H](O)COc2ccccc2F)CCCC1 ZINC000160157266 342072969 /nfs/dbraw/zinc/07/29/69/342072969.db2.gz ZLOMPEYXQFQWNL-ZDUSSCGKSA-N 1 0 297.370 1.708 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000161205765 361919163 /nfs/dbraw/zinc/91/91/63/361919163.db2.gz RTRMPVYJHAZRMS-UHFFFAOYSA-N 1 0 291.351 1.835 20 70 CDIDRO CC(C)n1nccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000159909683 361924334 /nfs/dbraw/zinc/92/43/34/361924334.db2.gz IBCHJVPQCJZELV-UHFFFAOYSA-N 1 0 264.373 1.536 20 70 CDIDRO O=C(CCCn1cccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159460603 539114174 /nfs/dbraw/zinc/11/41/74/539114174.db2.gz SYLGNQBHDLSTDC-HNNXBMFYSA-N 1 0 275.396 1.869 20 70 CDIDRO C[N@H+](C[C@@H](O)C1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000160751143 539116533 /nfs/dbraw/zinc/11/65/33/539116533.db2.gz SVSWGDBHRSUHHX-HUUCEWRRSA-N 1 0 274.364 1.495 20 70 CDIDRO CC[C@H](NCCCN1CCc2ccccc21)C(=O)OC ZINC000159487610 362327909 /nfs/dbraw/zinc/32/79/09/362327909.db2.gz RWXKADTZCLTGNB-AWEZNQCLSA-N 1 0 276.380 1.980 20 70 CDIDRO CN(CC(=O)Nc1ccc(F)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000160092933 362393778 /nfs/dbraw/zinc/39/37/78/362393778.db2.gz XXLLWSJLVNGDFP-CYBMUJFWSA-N 1 0 283.322 1.572 20 70 CDIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H](O)c1ccsc1 ZINC000160444513 362426713 /nfs/dbraw/zinc/42/67/13/362426713.db2.gz JEEZBCODAKAWKS-VWPFFFCUSA-N 1 0 294.420 1.818 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[C@@H](C)O ZINC000160983480 362585112 /nfs/dbraw/zinc/58/51/12/362585112.db2.gz CYCMBMKYJUVMBR-ZIAGYGMSSA-N 1 0 285.432 1.567 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)NCC(F)(F)F)C(=O)OC ZINC000159680358 363182769 /nfs/dbraw/zinc/18/27/69/363182769.db2.gz KHRMBTAMVHIGMU-UHFFFAOYSA-N 1 0 298.305 1.234 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)C1 ZINC000160701982 188487286 /nfs/dbraw/zinc/48/72/86/188487286.db2.gz OVDSWKWXZWRRFF-AWEZNQCLSA-N 1 0 289.379 1.715 20 70 CDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)SC)C1 ZINC000159768962 363288041 /nfs/dbraw/zinc/28/80/41/363288041.db2.gz QWEOCHXOTAUUQD-NEPJUHHUSA-N 1 0 273.446 1.769 20 70 CDIDRO CCCCOCCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159795385 363313610 /nfs/dbraw/zinc/31/36/10/363313610.db2.gz ZKHCWWFRRJNMIA-KBPBESRZSA-N 1 0 286.416 1.012 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159808310 363329601 /nfs/dbraw/zinc/32/96/01/363329601.db2.gz JLEPRCIHMJGSPG-WDEREUQCSA-N 1 0 259.419 1.379 20 70 CDIDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccccc1NC(C)=O ZINC000160650172 356327318 /nfs/dbraw/zinc/32/73/18/356327318.db2.gz CAMMAEZKBQENRU-UHFFFAOYSA-N 1 0 277.368 1.507 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000160751281 356516328 /nfs/dbraw/zinc/51/63/28/356516328.db2.gz ZGKJTBYTELOVFW-MRVPVSSYSA-N 1 0 289.198 1.945 20 70 CDIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000160327469 357570720 /nfs/dbraw/zinc/57/07/20/357570720.db2.gz XYUJTFOUSUJEDK-CQSZACIVSA-N 1 0 255.321 1.685 20 70 CDIDRO O=C([C@@H]1COc2ccccc2O1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160571036 358742531 /nfs/dbraw/zinc/74/25/31/358742531.db2.gz JYSYDFSMGRPGOX-ZOWXZIJZSA-N 1 0 288.347 1.179 20 70 CDIDRO O=C(NCCc1cc(F)ccc1F)[C@H]1CCCC[NH2+]1 ZINC000159667536 237155204 /nfs/dbraw/zinc/15/52/04/237155204.db2.gz ZLRGWRPIJQMWHF-CYBMUJFWSA-N 1 0 268.307 1.766 20 70 CDIDRO CN(CC1CCOCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160177263 363721600 /nfs/dbraw/zinc/72/16/00/363721600.db2.gz VYELTLNLJWUJRO-CABCVRRESA-N 1 0 297.443 1.927 20 70 CDIDRO CC[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)[NH+](C)C ZINC000160356291 363833184 /nfs/dbraw/zinc/83/31/84/363833184.db2.gz XSAQWVNGLZURDG-AWEZNQCLSA-N 1 0 299.459 1.143 20 70 CDIDRO C[C@H](O)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000159491785 364219071 /nfs/dbraw/zinc/21/90/71/364219071.db2.gz NXEFADOTGUUCRH-IMJJTQAJSA-N 1 0 290.407 1.752 20 70 CDIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cnn(C)c1 ZINC000159517784 364226377 /nfs/dbraw/zinc/22/63/77/364226377.db2.gz XEWCZOQHLILMKO-LLVKDONJSA-N 1 0 250.346 1.083 20 70 CDIDRO C[C@@H](O)CN(C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000159533695 364229201 /nfs/dbraw/zinc/22/92/01/364229201.db2.gz XFBLYHNKVONQJS-ZJUUUORDSA-N 1 0 262.313 1.505 20 70 CDIDRO CC(=O)c1cccc(NC(=O)[C@H](C)N(C)C[C@@H](C)O)c1 ZINC000159542285 364229707 /nfs/dbraw/zinc/22/97/07/364229707.db2.gz MWVWIHAJGCIIJT-MNOVXSKESA-N 1 0 278.352 1.529 20 70 CDIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000160284566 364329334 /nfs/dbraw/zinc/32/93/34/364329334.db2.gz NUPHMJYIXDYKGZ-ZKYQVNSYSA-N 1 0 287.363 1.454 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000160348489 364337240 /nfs/dbraw/zinc/33/72/40/364337240.db2.gz SIUHUVJICRGZCY-LLVKDONJSA-N 1 0 296.317 1.877 20 70 CDIDRO CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160154404 364312408 /nfs/dbraw/zinc/31/24/08/364312408.db2.gz HVHPAMVONOCUPQ-OCCSQVGLSA-N 1 0 290.363 1.606 20 70 CDIDRO COc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160672562 364392430 /nfs/dbraw/zinc/39/24/30/364392430.db2.gz ICPGRIKKJBDVAT-CYBMUJFWSA-N 1 0 292.379 1.272 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000160736016 364403307 /nfs/dbraw/zinc/40/33/07/364403307.db2.gz AQBWFAFTYBVZCY-CYBMUJFWSA-N 1 0 276.336 1.088 20 70 CDIDRO COC(=O)N(C)Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000160950358 364432088 /nfs/dbraw/zinc/43/20/88/364432088.db2.gz RHJZKTYEZXUZJD-UHFFFAOYSA-N 1 0 279.340 1.561 20 70 CDIDRO C[C@]1(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC[NH2+]C1 ZINC000161046439 364441492 /nfs/dbraw/zinc/44/14/92/364441492.db2.gz MUFYMKMFBCKCSR-INIZCTEOSA-N 1 0 285.347 1.144 20 70 CDIDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(=O)n2C)CC1 ZINC000160791822 364409381 /nfs/dbraw/zinc/40/93/81/364409381.db2.gz FQYDOULNHKBARX-UHFFFAOYSA-N 1 0 291.395 1.332 20 70 CDIDRO CC[C@H](C)OCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000160872793 364422632 /nfs/dbraw/zinc/42/26/32/364422632.db2.gz PGWYQONPHMCXCL-NSHDSACASA-N 1 0 265.357 1.897 20 70 CDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccncc1C ZINC000161501558 364503770 /nfs/dbraw/zinc/50/37/70/364503770.db2.gz IIFMYFWGFBOTKD-OAHLLOKOSA-N 1 0 290.411 1.716 20 70 CDIDRO CC[N@H+](CCNC(=O)c1ccc(C(N)=S)cc1)C1CC1 ZINC000218143020 367261232 /nfs/dbraw/zinc/26/12/32/367261232.db2.gz MIRSILDWIDAQRP-UHFFFAOYSA-N 1 0 291.420 1.535 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000161256750 368056842 /nfs/dbraw/zinc/05/68/42/368056842.db2.gz LOCKKASIEFTAFU-AWEZNQCLSA-N 1 0 299.378 1.400 20 70 CDIDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2F)CC[NH2+]1 ZINC000217217160 372041643 /nfs/dbraw/zinc/04/16/43/372041643.db2.gz ZZAZNWMDRJMOSN-JTQLQIEISA-N 1 0 268.307 1.718 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160881334 376373768 /nfs/dbraw/zinc/37/37/68/376373768.db2.gz BGLMLPNVVSZSQP-IIAWOOMASA-N 1 0 297.443 1.663 20 70 CDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000161406120 377224366 /nfs/dbraw/zinc/22/43/66/377224366.db2.gz MWDCDDXZMPLQLC-MJBXVCDLSA-N 1 0 284.400 1.171 20 70 CDIDRO CC[NH+]1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161284514 377202718 /nfs/dbraw/zinc/20/27/18/377202718.db2.gz UBSNWKKVXBLTBR-ZDUSSCGKSA-N 1 0 285.432 1.567 20 70 CDIDRO CCN1CCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205903 377478261 /nfs/dbraw/zinc/47/82/61/377478261.db2.gz SYDHXWIBRNTQPB-NRXISQOPSA-N 1 0 267.417 1.508 20 70 CDIDRO Cc1nc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000160193490 378143198 /nfs/dbraw/zinc/14/31/98/378143198.db2.gz VKWFOSOEHDPSGB-PHIMTYICSA-N 1 0 265.382 1.726 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000160754632 533030633 /nfs/dbraw/zinc/03/06/33/533030633.db2.gz JKVQMUWTMFGCNM-NSHDSACASA-N 1 0 294.399 1.510 20 70 CDIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000160566209 533270033 /nfs/dbraw/zinc/27/00/33/533270033.db2.gz WFVWEZARQWQMOD-TZMCWYRMSA-N 1 0 296.436 1.815 20 70 CDIDRO Cc1ccc([C@@H]2CSCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000160770074 391205040 /nfs/dbraw/zinc/20/50/40/391205040.db2.gz TWVVWORUAFJEAV-AAEUAGOBSA-N 1 0 264.394 1.959 20 70 CDIDRO O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217738950 392966307 /nfs/dbraw/zinc/96/63/07/392966307.db2.gz ZSZXHLQHZWSGMV-JLLWLGSASA-N 1 0 278.377 1.063 20 70 CDIDRO CCOC(=O)c1coc(NCC[N@H+](C)[C@@H](C)CC)n1 ZINC000218242229 140164612 /nfs/dbraw/zinc/16/46/12/140164612.db2.gz MRUMXFKOYPWDNS-JTQLQIEISA-N 1 0 269.345 1.994 20 70 CDIDRO Cc1ccc(F)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159935585 139908579 /nfs/dbraw/zinc/90/85/79/139908579.db2.gz HNCVKUALLCFPQS-LBPRGKRZSA-N 1 0 286.372 1.492 20 70 CDIDRO Cc1cc(F)ccc1S(=O)(=O)N1CCN(C)C[C@H]1C ZINC000216735055 140163789 /nfs/dbraw/zinc/16/37/89/140163789.db2.gz UJRXADGCXZTGBC-LLVKDONJSA-N 1 0 286.372 1.459 20 70 CDIDRO COC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)o1 ZINC000218134837 140164227 /nfs/dbraw/zinc/16/42/27/140164227.db2.gz YBWFHBBXAKKWQT-OLZOCXBDSA-N 1 0 278.352 1.783 20 70 CDIDRO Nc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217805229 140165575 /nfs/dbraw/zinc/16/55/75/140165575.db2.gz FHEXQTNJTBRQSH-KBPBESRZSA-N 1 0 259.353 1.625 20 70 CDIDRO COC(C)(C)C[C@@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000160965384 292061691 /nfs/dbraw/zinc/06/16/91/292061691.db2.gz GMDLSZOGWDHLDI-GFCCVEGCSA-N 1 0 290.407 1.803 20 70 CDIDRO CC1CCN(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000160681649 276194354 /nfs/dbraw/zinc/19/43/54/276194354.db2.gz IECBAWKEVRXDCT-CYBMUJFWSA-N 1 0 251.374 1.618 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000161033063 277025091 /nfs/dbraw/zinc/02/50/91/277025091.db2.gz TUNIIYFQPMNSJO-PEHJNBARSA-N 1 0 280.412 1.981 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542973 292761184 /nfs/dbraw/zinc/76/11/84/292761184.db2.gz UXJGCYDXPQLADT-AWEZNQCLSA-N 1 0 295.427 1.411 20 70 CDIDRO CCOC[C@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160065334 292777028 /nfs/dbraw/zinc/77/70/28/292777028.db2.gz QBGGIUXIIAGXEE-ZDUSSCGKSA-N 1 0 256.390 1.650 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160783595 482825447 /nfs/dbraw/zinc/82/54/47/482825447.db2.gz ZDSYEEAAWIMQAB-GHMZBOCLSA-N 1 0 279.384 1.728 20 70 CDIDRO CC(=O)c1csc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161025139 482854369 /nfs/dbraw/zinc/85/43/69/482854369.db2.gz HGDFNZNRWQNBIW-QWRGUYRKSA-N 1 0 266.366 1.950 20 70 CDIDRO CCc1ccccc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000160372454 521837473 /nfs/dbraw/zinc/83/74/73/521837473.db2.gz UUTBWFNLQAJZMW-CQSZACIVSA-N 1 0 250.317 1.567 20 70 CDIDRO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@H]1CCCC[C@@H]1O ZINC000161087475 522512627 /nfs/dbraw/zinc/51/26/27/522512627.db2.gz APVKVNBUZALWKK-KBPBESRZSA-N 1 0 280.343 2.000 20 70 CDIDRO C[N@H+](CCNC(=O)C1CCOCC1)Cc1ccc(F)cc1 ZINC000161063780 522844516 /nfs/dbraw/zinc/84/45/16/522844516.db2.gz SUMOHDYDHKEBBL-UHFFFAOYSA-N 1 0 294.370 1.800 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160798257 522982694 /nfs/dbraw/zinc/98/26/94/522982694.db2.gz PDMPFRNQMZLDET-OAHLLOKOSA-N 1 0 293.411 1.708 20 70 CDIDRO CO[C@@H]1CCN(Cc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000161000465 523688399 /nfs/dbraw/zinc/68/83/99/523688399.db2.gz KYPRWCPQSJGIIM-QWHCGFSZSA-N 1 0 270.323 1.903 20 70 CDIDRO C[C@@H]1CN(C(=O)N2CCC(C)CC2)C[C@@H]1[NH+](C)C ZINC000160714657 524801949 /nfs/dbraw/zinc/80/19/49/524801949.db2.gz JNTWQJCGRWZTDR-OLZOCXBDSA-N 1 0 253.390 1.720 20 70 CDIDRO C[C@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccncc1 ZINC000160368083 539115792 /nfs/dbraw/zinc/11/57/92/539115792.db2.gz HTFBJYMQRHXLCX-KGLIPLIRSA-N 1 0 275.396 1.985 20 70 CDIDRO COc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160047700 362390093 /nfs/dbraw/zinc/39/00/93/362390093.db2.gz SBWJTLFAZZQLNF-AWEZNQCLSA-N 1 0 277.368 1.303 20 70 CDIDRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000161095693 362962717 /nfs/dbraw/zinc/96/27/17/362962717.db2.gz YPRFCBCLTMFYNS-ZYHUDNBSSA-N 1 0 268.382 1.031 20 70 CDIDRO CC(C)CN(CC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159658698 363137673 /nfs/dbraw/zinc/13/76/73/363137673.db2.gz DOVKLPCKGTWYLR-UHFFFAOYSA-N 1 0 291.395 1.332 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000159504358 188429398 /nfs/dbraw/zinc/42/93/98/188429398.db2.gz UMGGYANJDWCJDB-IUCAKERBSA-N 1 0 272.295 1.604 20 70 CDIDRO [NH3+]CCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000159996486 188450108 /nfs/dbraw/zinc/45/01/08/188450108.db2.gz SIVVFOSQVCVVSU-UHFFFAOYSA-N 1 0 293.367 1.957 20 70 CDIDRO Cc1noc2nc(C(C)C)cc(C(=O)NCCC[NH3+])c12 ZINC000160049931 188452291 /nfs/dbraw/zinc/45/22/91/188452291.db2.gz GYTRCMKMQMZEOI-UHFFFAOYSA-N 1 0 276.340 1.733 20 70 CDIDRO Cc1cscc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160588408 188481976 /nfs/dbraw/zinc/48/19/76/188481976.db2.gz KYIWVYZXLFOZRS-GFCCVEGCSA-N 1 0 282.409 1.633 20 70 CDIDRO CC[C@@H](C)OCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159373547 358449837 /nfs/dbraw/zinc/44/98/37/358449837.db2.gz DLXYJSSYYACXJY-QWHCGFSZSA-N 1 0 256.390 1.650 20 70 CDIDRO CC(C)[NH2+]CCC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160045679 363620558 /nfs/dbraw/zinc/62/05/58/363620558.db2.gz UTOVSOGGQTYYEU-UHFFFAOYSA-N 1 0 283.416 1.139 20 70 CDIDRO CCN(CC)C(=O)CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161224125 482867770 /nfs/dbraw/zinc/86/77/70/482867770.db2.gz JOBMNLCPOKZNAP-NWDGAFQWSA-N 1 0 269.389 1.021 20 70 CDIDRO C[C@@H](CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000159363949 364191149 /nfs/dbraw/zinc/19/11/49/364191149.db2.gz QYQHAYDZFPRTBQ-NSHDSACASA-N 1 0 278.327 1.466 20 70 CDIDRO C[C@@H](CCc1ccccc1F)C(=O)N1CC[NH2+]CC1 ZINC000159361315 364192259 /nfs/dbraw/zinc/19/22/59/364192259.db2.gz QBGAVSJPTQLODW-LBPRGKRZSA-N 1 0 264.344 1.826 20 70 CDIDRO C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000159647179 364246096 /nfs/dbraw/zinc/24/60/96/364246096.db2.gz PSRNWOXPVKAALU-GOEBONIOSA-N 1 0 274.364 1.513 20 70 CDIDRO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1nccs1 ZINC000159797836 364267227 /nfs/dbraw/zinc/26/72/27/364267227.db2.gz RTURMUDLMGLKOG-UWVGGRQHSA-N 1 0 253.371 1.457 20 70 CDIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1C[NH2+]CCO1 ZINC000159825408 364270285 /nfs/dbraw/zinc/27/02/85/364270285.db2.gz RIWCFBDWBIQQSJ-LSDHHAIUSA-N 1 0 274.364 1.112 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)COc2ccccc2Cl)C1 ZINC000160261452 364326003 /nfs/dbraw/zinc/32/60/03/364326003.db2.gz NAIUNVHVNHZENP-SECBINFHSA-N 1 0 254.717 1.278 20 70 CDIDRO CCOc1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160269093 364327743 /nfs/dbraw/zinc/32/77/43/364327743.db2.gz HQBJEXTVUJDHQQ-LBPRGKRZSA-N 1 0 278.352 1.414 20 70 CDIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC000160389625 364344063 /nfs/dbraw/zinc/34/40/63/364344063.db2.gz SLVPXBHJEUJYKW-GFCCVEGCSA-N 1 0 265.357 1.833 20 70 CDIDRO CCCNC(=O)c1cccc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000159944047 364284124 /nfs/dbraw/zinc/28/41/24/364284124.db2.gz NSMFMZOQVPOTJJ-UHFFFAOYSA-N 1 0 277.368 1.294 20 70 CDIDRO C[C@@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000160047040 364298415 /nfs/dbraw/zinc/29/84/15/364298415.db2.gz LHSKUJMHGVVGDO-JTQLQIEISA-N 1 0 252.333 1.858 20 70 CDIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160958306 364433441 /nfs/dbraw/zinc/43/34/41/364433441.db2.gz LPLPCBAOFHWNMJ-NEPJUHHUSA-N 1 0 291.395 1.426 20 70 CDIDRO Cc1cccc(O[C@H](C)CNC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000161166127 364458363 /nfs/dbraw/zinc/45/83/63/364458363.db2.gz OPHGFEYHHXFRLO-CJNGLKHVSA-N 1 0 276.380 1.878 20 70 CDIDRO CC[C@H](C)CS(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000161008964 364438388 /nfs/dbraw/zinc/43/83/88/364438388.db2.gz VWGRNXMNUYHVGL-NSHDSACASA-N 1 0 283.397 1.714 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc(OCCOC)cc1 ZINC000161230214 364467606 /nfs/dbraw/zinc/46/76/06/364467606.db2.gz ZALVDYGTRSJALI-UHFFFAOYSA-N 1 0 267.369 1.916 20 70 CDIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000161306774 364476383 /nfs/dbraw/zinc/47/63/83/364476383.db2.gz SMWHAMGITCJGKI-JTQLQIEISA-N 1 0 298.818 1.878 20 70 CDIDRO COc1ccccc1[C@@H](O)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161424415 364490793 /nfs/dbraw/zinc/49/07/93/364490793.db2.gz YDOJJXBBDGMADG-XJKSGUPXSA-N 1 0 292.379 1.235 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460349 364496595 /nfs/dbraw/zinc/49/65/95/364496595.db2.gz VLQFZBJHMHGDGR-RYUDHWBXSA-N 1 0 295.770 1.299 20 70 CDIDRO Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)[NH3+])[C@@H](C)CO1 ZINC000161468468 373757201 /nfs/dbraw/zinc/75/72/01/373757201.db2.gz PLRGZSFEYXQAFO-OUCADQQQSA-N 1 0 262.353 1.631 20 70 CDIDRO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[NH+](C)C ZINC000161060035 377127756 /nfs/dbraw/zinc/12/77/56/377127756.db2.gz ARYAIPSUPWQGTB-UHFFFAOYSA-N 1 0 294.424 1.676 20 70 CDIDRO C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)[NH+]1CCC(C)CC1 ZINC000161211059 377482082 /nfs/dbraw/zinc/48/20/82/377482082.db2.gz SIWKWSURBAEUBH-ZBFHGGJFSA-N 1 0 297.443 1.663 20 70 CDIDRO CCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160154323 377518836 /nfs/dbraw/zinc/51/88/36/377518836.db2.gz BCIOVPZSRNMSGI-LBPRGKRZSA-N 1 0 260.403 1.286 20 70 CDIDRO COCCN(C)CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000159399400 390939777 /nfs/dbraw/zinc/93/97/77/390939777.db2.gz HMUVDEBMECSNOD-LBPRGKRZSA-N 1 0 283.441 1.997 20 70 CDIDRO CC(=O)NCCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159513003 390940043 /nfs/dbraw/zinc/94/00/43/390940043.db2.gz ANVJWBMOGPXSKG-QGZVFWFLSA-N 1 0 288.391 1.687 20 70 CDIDRO C[N@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)C1CCCC1 ZINC000161437092 391592504 /nfs/dbraw/zinc/59/25/04/391592504.db2.gz GUSUWDOPUBTEJT-ZDUSSCGKSA-N 1 0 290.411 1.436 20 70 CDIDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160305566 139911052 /nfs/dbraw/zinc/91/10/52/139911052.db2.gz HNROZBARDOZABK-DGCLKSJQSA-N 1 0 281.400 1.021 20 70 CDIDRO C[C@@H](C[NH2+]Cc1cnc(N(C)C)n1C)N(C)C1CC1 ZINC000217533869 140163520 /nfs/dbraw/zinc/16/35/20/140163520.db2.gz XPBDCZMAZCIWIA-NSHDSACASA-N 1 0 265.405 1.058 20 70 CDIDRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160007001 147705901 /nfs/dbraw/zinc/70/59/01/147705901.db2.gz UKSGVEXPGVLSDN-CJNGLKHVSA-N 1 0 289.423 1.875 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C12CCC2 ZINC000160995943 286524656 /nfs/dbraw/zinc/52/46/56/286524656.db2.gz HDQGOYVVDIBRHB-STQMWFEESA-N 1 0 296.411 1.219 20 70 CDIDRO CC1(C)C[C@H](NC(=O)C2([NH3+])CC2)c2ccccc2O1 ZINC000160340247 273588035 /nfs/dbraw/zinc/58/80/35/273588035.db2.gz QRKDTBMLXDWNKX-NSHDSACASA-N 1 0 260.337 1.896 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161244070 279392910 /nfs/dbraw/zinc/39/29/10/279392910.db2.gz HWCLCLXFSSFXBM-NHCYSSNCSA-N 1 0 250.317 1.877 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(Cl)s1 ZINC000217799529 280089711 /nfs/dbraw/zinc/08/97/11/280089711.db2.gz LACVTBWBJBIWDU-BWZBUEFSSA-N 1 0 274.773 1.302 20 70 CDIDRO CC(=O)N1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159731519 292767498 /nfs/dbraw/zinc/76/74/98/292767498.db2.gz DVDMEOWTLMNOKW-HNNXBMFYSA-N 1 0 289.379 1.099 20 70 CDIDRO CSC[C@@H](CCO)[NH2+]C1CCN(CC(F)F)CC1 ZINC000160263193 292781994 /nfs/dbraw/zinc/78/19/94/292781994.db2.gz ZJQTUSSVIZOSKJ-LLVKDONJSA-N 1 0 282.400 1.420 20 70 CDIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160605837 292791513 /nfs/dbraw/zinc/79/15/13/292791513.db2.gz JMQNHXBTTBNOHK-MJBXVCDLSA-N 1 0 270.417 1.774 20 70 CDIDRO O=C(/C=C/c1nc2ccccc2o1)N1CCC[NH2+]CC1 ZINC000160867246 292795540 /nfs/dbraw/zinc/79/55/40/292795540.db2.gz FUTGAOFDIHCJQD-VOTSOKGWSA-N 1 0 271.320 1.663 20 70 CDIDRO CNc1ccccc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161304790 292803808 /nfs/dbraw/zinc/80/38/08/292803808.db2.gz OCXHSVCUBHNBQH-GFCCVEGCSA-N 1 0 261.369 1.942 20 70 CDIDRO COC1(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)CC[NH2+]CC1 ZINC000160654488 482817230 /nfs/dbraw/zinc/81/72/30/482817230.db2.gz FRLFLFPIVQRQED-LSDHHAIUSA-N 1 0 288.391 1.736 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c12 ZINC000160910451 482839694 /nfs/dbraw/zinc/83/96/94/482839694.db2.gz SRPYYBLSKBPCPT-GHMZBOCLSA-N 1 0 288.351 1.839 20 70 CDIDRO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CC1([NH3+])CCC1 ZINC000161478716 482879473 /nfs/dbraw/zinc/87/94/73/482879473.db2.gz FMEXTYBYCZJGRB-GFCCVEGCSA-N 1 0 289.379 1.333 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)COCC2CC2)CC1 ZINC000160398129 519848771 /nfs/dbraw/zinc/84/87/71/519848771.db2.gz ZRSLQJPESNLYFG-UHFFFAOYSA-N 1 0 254.374 1.357 20 70 CDIDRO CC(C)(C(N)=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161442357 518546720 /nfs/dbraw/zinc/54/67/20/518546720.db2.gz YNEBGDARIMGBHR-LLVKDONJSA-N 1 0 289.379 1.388 20 70 CDIDRO CCCNC(=O)CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159685893 528344502 /nfs/dbraw/zinc/34/45/02/528344502.db2.gz AIBVWQMOOUMSFQ-UHFFFAOYSA-N 1 0 269.389 1.071 20 70 CDIDRO CCOc1cccnc1C(=O)NCC([NH3+])(CC)CC ZINC000160523409 528763805 /nfs/dbraw/zinc/76/38/05/528763805.db2.gz WBECRRPIFRVGPQ-UHFFFAOYSA-N 1 0 265.357 1.728 20 70 CDIDRO CC(C)[NH+](CCNC(=O)[C@H]1CCCCO1)C(C)C ZINC000161097721 528905609 /nfs/dbraw/zinc/90/56/09/528905609.db2.gz ZNFPRSSPNYJLOG-CYBMUJFWSA-N 1 0 256.390 1.791 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](CC)COC ZINC000159808341 535221514 /nfs/dbraw/zinc/22/15/14/535221514.db2.gz IFFVKHLZRZGOTE-LBPRGKRZSA-N 1 0 259.394 1.443 20 70 CDIDRO O=C(NC[C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000159732615 361817627 /nfs/dbraw/zinc/81/76/27/361817627.db2.gz FIVMLWCGTOHWDX-ZIAGYGMSSA-N 1 0 258.365 1.832 20 70 CDIDRO O=C(Nc1cnn(CC(F)(F)F)c1)[C@]1(F)CC[NH2+]C1 ZINC000159702917 361803335 /nfs/dbraw/zinc/80/33/35/361803335.db2.gz JVTIPEGAOXMMQZ-VIFPVBQESA-N 1 0 280.225 1.086 20 70 CDIDRO OCC1(C[NH2+]C[C@@H](O)COCc2cccs2)CCCC1 ZINC000160149399 342072953 /nfs/dbraw/zinc/07/29/53/342072953.db2.gz RUBHORLDRFGZRS-CYBMUJFWSA-N 1 0 299.436 1.768 20 70 CDIDRO CCNC(=O)NC(=O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000159822177 361874231 /nfs/dbraw/zinc/87/42/31/361874231.db2.gz LKSXUAJWTMDADB-CYBMUJFWSA-N 1 0 290.367 1.373 20 70 CDIDRO CCC(CC)N1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161220734 361925208 /nfs/dbraw/zinc/92/52/08/361925208.db2.gz AMSUHWMDWLVBTA-JSGCOSHPSA-N 1 0 295.427 1.234 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCC2(CCOC)CCC2)CC1 ZINC000159989309 361991606 /nfs/dbraw/zinc/99/16/06/361991606.db2.gz LYMWVGYCGMSSEN-UHFFFAOYSA-N 1 0 297.443 1.930 20 70 CDIDRO CCOCCC1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000159800082 539114734 /nfs/dbraw/zinc/11/47/34/539114734.db2.gz LHABZFXWEZKSNJ-AWEZNQCLSA-N 1 0 297.443 1.834 20 70 CDIDRO CO[C@@]1(C[NH2+][C@@H]2CCCc3cccnc32)CCOC1 ZINC000160126398 539115406 /nfs/dbraw/zinc/11/54/06/539115406.db2.gz FRELQUAHAVZJOE-UKRRQHHQSA-N 1 0 262.353 1.854 20 70 CDIDRO Brc1cccnc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216730714 342439464 /nfs/dbraw/zinc/43/94/64/342439464.db2.gz XZSZLZSTNSVLMA-SCZZXKLOSA-N 1 0 268.158 1.642 20 70 CDIDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2)CCCC1 ZINC000160881549 362194260 /nfs/dbraw/zinc/19/42/60/362194260.db2.gz XTDHKPLXEFCPNQ-OAHLLOKOSA-N 1 0 292.423 1.890 20 70 CDIDRO CN(C(=O)COc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000159792623 362370818 /nfs/dbraw/zinc/37/08/18/362370818.db2.gz OJIFXGIIFSLQSW-CYBMUJFWSA-N 1 0 282.771 1.915 20 70 CDIDRO Cc1ccc2nc(CN(C)[C@@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094233 362394183 /nfs/dbraw/zinc/39/41/83/362394183.db2.gz FNVAEJARFPAJMM-AWEZNQCLSA-N 1 0 286.379 1.172 20 70 CDIDRO CN(CC(=O)Nc1ccccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160092218 362394209 /nfs/dbraw/zinc/39/42/09/362394209.db2.gz SJSIJVWDSYMLPP-ZDUSSCGKSA-N 1 0 281.787 1.948 20 70 CDIDRO CN(CCC[NH+]1CCCCC1)CCN1CCCC1=O ZINC000161093101 362585875 /nfs/dbraw/zinc/58/58/75/362585875.db2.gz SCBKBGRYXJDWKO-UHFFFAOYSA-N 1 0 267.417 1.417 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Cc1ccccc1 ZINC000159630027 363086098 /nfs/dbraw/zinc/08/60/98/363086098.db2.gz LHSGMJIITIDLHR-OAHLLOKOSA-N 1 0 299.374 1.278 20 70 CDIDRO Cn1nccc1/C=C/C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159702658 188437335 /nfs/dbraw/zinc/43/73/35/188437335.db2.gz IQAHJXJJWXBUIJ-CMDGGOBGSA-N 1 0 290.411 1.862 20 70 CDIDRO COc1cccc(CNC(=O)CC[NH3+])c1OC1CCCC1 ZINC000159856356 188445241 /nfs/dbraw/zinc/44/52/41/188445241.db2.gz ZEOZRCYIFQPLHJ-UHFFFAOYSA-N 1 0 292.379 1.982 20 70 CDIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000159401983 358479813 /nfs/dbraw/zinc/47/98/13/358479813.db2.gz SLJQIDYOSMBLDZ-JSGCOSHPSA-N 1 0 258.406 1.630 20 70 CDIDRO O=C(/C=C/c1nc2ccccc2o1)N1CC[NH2+]CC1 ZINC000159427657 358523870 /nfs/dbraw/zinc/52/38/70/358523870.db2.gz WDMODOXSZZTPFS-AATRIKPKSA-N 1 0 257.293 1.273 20 70 CDIDRO CSC[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000159724438 237154563 /nfs/dbraw/zinc/15/45/63/237154563.db2.gz MQVRFIFXSBDYOD-QWRGUYRKSA-N 1 0 258.431 1.880 20 70 CDIDRO COCCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159774397 237158200 /nfs/dbraw/zinc/15/82/00/237158200.db2.gz AKPVTYPOCMUDGA-UHFFFAOYSA-N 1 0 285.432 1.785 20 70 CDIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc2c(c1)NC(=O)CO2 ZINC000217764742 360411940 /nfs/dbraw/zinc/41/19/40/360411940.db2.gz ADYLIMDCGBBFGN-GFCCVEGCSA-N 1 0 291.395 1.837 20 70 CDIDRO C[C@H](CNS(=O)(=O)c1ccc(N)cc1)[NH+]1CCCC1 ZINC000160744609 360867536 /nfs/dbraw/zinc/86/75/36/360867536.db2.gz VGHSZCPYBYULNV-LLVKDONJSA-N 1 0 283.397 1.031 20 70 CDIDRO COC1(C(=O)Nc2ncc(C(C)C)s2)CC[NH2+]CC1 ZINC000160895995 361705215 /nfs/dbraw/zinc/70/52/15/361705215.db2.gz BYJLWAOSZAKECF-UHFFFAOYSA-N 1 0 283.397 1.974 20 70 CDIDRO COCCN(C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000159409204 361692676 /nfs/dbraw/zinc/69/26/76/361692676.db2.gz LSSHTXMLOXQDTE-CYBMUJFWSA-N 1 0 268.405 1.693 20 70 CDIDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159529348 361730159 /nfs/dbraw/zinc/73/01/59/361730159.db2.gz MOKACTRQKNDJRC-OLZOCXBDSA-N 1 0 264.369 1.943 20 70 CDIDRO NC(=O)[C@@H]1CCCN1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372776 363836074 /nfs/dbraw/zinc/83/60/74/363836074.db2.gz YSAPHNXYSYUAIL-AWEZNQCLSA-N 1 0 288.326 1.461 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503984 364222577 /nfs/dbraw/zinc/22/25/77/364222577.db2.gz DWAGWBXQIDHJQU-NSHDSACASA-N 1 0 259.313 1.538 20 70 CDIDRO CCCN(C)c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159456323 364210849 /nfs/dbraw/zinc/21/08/49/364210849.db2.gz WGBPRNWTENJPHN-UHFFFAOYSA-N 1 0 261.369 1.578 20 70 CDIDRO Cc1ccccc1[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000159619574 364242056 /nfs/dbraw/zinc/24/20/56/364242056.db2.gz KXDYZYXGRXGPHH-LLVKDONJSA-N 1 0 261.325 1.197 20 70 CDIDRO Cc1c([C@H](C)[NH2+]CCO)nnn1-c1ccc(F)cc1 ZINC000159701207 364254070 /nfs/dbraw/zinc/25/40/70/364254070.db2.gz ZDYLYQAEKACKRU-VIFPVBQESA-N 1 0 264.304 1.358 20 70 CDIDRO Cc1noc([C@H]2CCC[N@H+](CCn3ccnc3)C2)n1 ZINC000159773552 364264196 /nfs/dbraw/zinc/26/41/96/364264196.db2.gz XKVUMWBHQJKEER-LBPRGKRZSA-N 1 0 261.329 1.454 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000159834058 364272126 /nfs/dbraw/zinc/27/21/26/364272126.db2.gz WSVKUDSIVAVGTK-SNVBAGLBSA-N 1 0 298.408 1.686 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000159833767 364272166 /nfs/dbraw/zinc/27/21/66/364272166.db2.gz WSVKUDSIVAVGTK-JTQLQIEISA-N 1 0 298.408 1.686 20 70 CDIDRO Cc1ccoc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160222312 364321069 /nfs/dbraw/zinc/32/10/69/364321069.db2.gz GMHYOLMVZACMNJ-GFCCVEGCSA-N 1 0 266.341 1.165 20 70 CDIDRO Cc1ccccc1C(=O)N[C@H](C(=O)NCCC[NH3+])C(C)C ZINC000160052069 364298305 /nfs/dbraw/zinc/29/83/05/364298305.db2.gz ZFTKFWUDVSARBR-AWEZNQCLSA-N 1 0 291.395 1.214 20 70 CDIDRO C[NH2+]CC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160476697 364359015 /nfs/dbraw/zinc/35/90/15/364359015.db2.gz CHCQPCMTDKNHCW-SNVBAGLBSA-N 1 0 259.309 1.738 20 70 CDIDRO CCc1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000160486143 364360679 /nfs/dbraw/zinc/36/06/79/364360679.db2.gz KITOPJATUNLNDB-UHFFFAOYSA-N 1 0 298.818 1.852 20 70 CDIDRO CC[N@H+](CCNC(=O)NCCc1ccncc1C)C1CC1 ZINC000160494749 364363660 /nfs/dbraw/zinc/36/36/60/364363660.db2.gz XXOHBFOXLNYVIN-UHFFFAOYSA-N 1 0 290.411 1.716 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160641097 364388150 /nfs/dbraw/zinc/38/81/50/364388150.db2.gz OHWHFPHVDWKUPN-VIFPVBQESA-N 1 0 253.346 1.716 20 70 CDIDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000160405964 364346828 /nfs/dbraw/zinc/34/68/28/364346828.db2.gz BVKFSRQVQKQYAY-UHFFFAOYSA-N 1 0 298.774 1.050 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc(NC(N)=O)c(OC)c1)[NH+](C)C ZINC000160847379 364419880 /nfs/dbraw/zinc/41/98/80/364419880.db2.gz KYOOTOOCMLHBQP-LLVKDONJSA-N 1 0 294.355 1.465 20 70 CDIDRO CN(Cc1cc2ccccc2o1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000161415985 364490412 /nfs/dbraw/zinc/49/04/12/364490412.db2.gz KMEMCTIWVJTNPI-ZDUSSCGKSA-N 1 0 288.347 1.770 20 70 CDIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000161126574 367223682 /nfs/dbraw/zinc/22/36/82/367223682.db2.gz QXNKRGCAOXLFGZ-DGCLKSJQSA-N 1 0 280.343 1.851 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc2c(c1)NC(=O)CO2 ZINC000217764834 367258035 /nfs/dbraw/zinc/25/80/35/367258035.db2.gz ADYLIMDCGBBFGN-LBPRGKRZSA-N 1 0 291.395 1.837 20 70 CDIDRO CNC(=O)c1ccc(C[NH2+]C[C@](C)(O)CSC)cc1 ZINC000217842315 367259755 /nfs/dbraw/zinc/25/97/55/367259755.db2.gz QZLFULRJTRJLRV-AWEZNQCLSA-N 1 0 282.409 1.250 20 70 CDIDRO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cc2ccccc2o1 ZINC000217842347 367260175 /nfs/dbraw/zinc/26/01/75/367260175.db2.gz MEQCBFDXUMIDRU-MVWJERBFSA-N 1 0 274.320 1.333 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000160114667 375730884 /nfs/dbraw/zinc/73/08/84/375730884.db2.gz LVSACRMKLOVRKB-SNVBAGLBSA-N 1 0 250.317 1.706 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCCNC(=O)c2ccsc2)C1 ZINC000160560551 533030723 /nfs/dbraw/zinc/03/07/23/533030723.db2.gz HNIQFHDIQGHEQM-LBPRGKRZSA-N 1 0 295.408 1.078 20 70 CDIDRO COCC[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161181360 285162341 /nfs/dbraw/zinc/16/23/41/285162341.db2.gz GEPQGWXIEWTNDS-ZDUSSCGKSA-N 1 0 280.416 1.952 20 70 CDIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000161306905 390653925 /nfs/dbraw/zinc/65/39/25/390653925.db2.gz SMWHAMGITCJGKI-SNVBAGLBSA-N 1 0 298.818 1.878 20 70 CDIDRO Cc1cccc(S(=O)(=O)N2CCN(C)C[C@H]2C)c1 ZINC000216735227 140163937 /nfs/dbraw/zinc/16/39/37/140163937.db2.gz GKSOBHVROHYCSX-GFCCVEGCSA-N 1 0 268.382 1.320 20 70 CDIDRO CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848446 140164252 /nfs/dbraw/zinc/16/42/52/140164252.db2.gz VPDZJUYPKQTQRW-GOEBONIOSA-N 1 0 293.455 1.851 20 70 CDIDRO CC(C)[N@H+](CCO)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000217633885 140164489 /nfs/dbraw/zinc/16/44/89/140164489.db2.gz KMJIOYYIYMYXLJ-RDBSUJKOSA-N 1 0 270.417 1.630 20 70 CDIDRO CCCC[C@H](COC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160468197 275985382 /nfs/dbraw/zinc/98/53/82/275985382.db2.gz OLJAKBSIVIJMIH-CHWSQXEVSA-N 1 0 266.389 1.696 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cc(C)oc2C)[C@@H](C[NH3+])C1 ZINC000161051336 277741602 /nfs/dbraw/zinc/74/16/02/277741602.db2.gz XMIDMSHSGCVZOR-NEPJUHHUSA-N 1 0 266.341 1.475 20 70 CDIDRO Cc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH]c1=O ZINC000159580813 292762216 /nfs/dbraw/zinc/76/22/16/292762216.db2.gz NORPOGPCPYZMCT-LLVKDONJSA-N 1 0 251.330 1.208 20 70 CDIDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](CCO)CSC ZINC000160275190 292782517 /nfs/dbraw/zinc/78/25/17/292782517.db2.gz RPVMXPHXOQWUIH-GJZGRUSLSA-N 1 0 283.437 1.948 20 70 CDIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000161118879 292800456 /nfs/dbraw/zinc/80/04/56/292800456.db2.gz YEUFYMCCWKINAE-YPMHNXCESA-N 1 0 263.337 1.972 20 70 CDIDRO Cc1nc2ccccn2c1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000160975749 292797535 /nfs/dbraw/zinc/79/75/35/292797535.db2.gz XWIDENHMBBYZEN-UHFFFAOYSA-N 1 0 286.379 1.921 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Cn1cccn1 ZINC000161184926 292801892 /nfs/dbraw/zinc/80/18/92/292801892.db2.gz RCRFWHKISZISLP-GFCCVEGCSA-N 1 0 266.389 1.401 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000161032247 519645134 /nfs/dbraw/zinc/64/51/34/519645134.db2.gz WNLDNYBJKFFJLO-NRXISQOPSA-N 1 0 284.400 1.219 20 70 CDIDRO COc1ccccc1-c1nn(C)cc1C(=O)NCCC[NH3+] ZINC000160108596 533922367 /nfs/dbraw/zinc/92/23/67/533922367.db2.gz ALUOKELGTLQSIJ-UHFFFAOYSA-N 1 0 288.351 1.174 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161022101 519817340 /nfs/dbraw/zinc/81/73/40/519817340.db2.gz TYGZJYNOYVNVMO-DYLAAIIWSA-N 1 0 268.307 1.920 20 70 CDIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160366905 522824508 /nfs/dbraw/zinc/82/45/08/522824508.db2.gz CFEVKQLNNQJJED-GJZGRUSLSA-N 1 0 295.427 1.681 20 70 CDIDRO COCCC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161465658 523006039 /nfs/dbraw/zinc/00/60/39/523006039.db2.gz AOPQWCJDFSPPQD-ZDUSSCGKSA-N 1 0 266.385 1.500 20 70 CDIDRO CO[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000161126984 523671332 /nfs/dbraw/zinc/67/13/32/523671332.db2.gz FPXJFSUPFRMBCG-UONOGXRCSA-N 1 0 262.353 1.194 20 70 CDIDRO C[C@@H](CO)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161017670 524785566 /nfs/dbraw/zinc/78/55/66/524785566.db2.gz JIBMSTHCEGTUPH-LBPRGKRZSA-N 1 0 270.417 1.584 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000160452601 527249079 /nfs/dbraw/zinc/24/90/79/527249079.db2.gz BDRXRVUZSLLWCS-UKRRQHHQSA-N 1 0 294.326 1.494 20 70 CDIDRO Cn1cc(N2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000161388172 527251256 /nfs/dbraw/zinc/25/12/56/527251256.db2.gz PKOPXVTUHPVPGX-UHFFFAOYSA-N 1 0 291.443 1.418 20 70 CDIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000160501199 527798031 /nfs/dbraw/zinc/79/80/31/527798031.db2.gz MZHVGVVAIJIFSV-LALPHHSUSA-N 1 0 268.401 1.648 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)NCC(C)(C)[NH3+])cc21 ZINC000160082419 528514363 /nfs/dbraw/zinc/51/43/63/528514363.db2.gz MBOZKHIAOXVVTB-UHFFFAOYSA-N 1 0 276.340 1.813 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cscn2)CC1 ZINC000160013674 529024200 /nfs/dbraw/zinc/02/42/00/529024200.db2.gz YGQXJJCWYARYTB-UHFFFAOYSA-N 1 0 282.413 1.423 20 70 CDIDRO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC000159626849 361757924 /nfs/dbraw/zinc/75/79/24/361757924.db2.gz HJRRYTBWZYFEMA-STQMWFEESA-N 1 0 283.416 1.090 20 70 CDIDRO CC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC000159627006 361758031 /nfs/dbraw/zinc/75/80/31/361758031.db2.gz HJRRYTBWZYFEMA-QWHCGFSZSA-N 1 0 283.416 1.090 20 70 CDIDRO OCC1(C[NH2+]C[C@@H](O)COc2ccccc2F)CCCC1 ZINC000160157153 342072988 /nfs/dbraw/zinc/07/29/88/342072988.db2.gz ZLOMPEYXQFQWNL-CYBMUJFWSA-N 1 0 297.370 1.708 20 70 CDIDRO OCC1(C[NH2+]C[C@H](O)COCc2cccs2)CCCC1 ZINC000160149513 342073004 /nfs/dbraw/zinc/07/30/04/342073004.db2.gz RUBHORLDRFGZRS-ZDUSSCGKSA-N 1 0 299.436 1.768 20 70 CDIDRO CCc1noc2ncc(C(=O)N3CCC[C@H]3C[NH2+]C)cc12 ZINC000161168740 361899260 /nfs/dbraw/zinc/89/92/60/361899260.db2.gz FGLZQTFBJSKADH-NSHDSACASA-N 1 0 288.351 1.609 20 70 CDIDRO CCC(CC)N1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161220617 361924689 /nfs/dbraw/zinc/92/46/89/361924689.db2.gz AMSUHWMDWLVBTA-OCCSQVGLSA-N 1 0 295.427 1.234 20 70 CDIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161099940 282178824 /nfs/dbraw/zinc/17/88/24/282178824.db2.gz AFRNDDJDLKFGCP-HZPDHXFCSA-N 1 0 290.407 1.845 20 70 CDIDRO CCOCCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159399125 362319410 /nfs/dbraw/zinc/31/94/10/362319410.db2.gz QOAWCKCXLDWXHD-ZDUSSCGKSA-N 1 0 292.445 1.207 20 70 CDIDRO COc1ccc2c(c1)C[C@H]([NH2+]CCNC(=O)C1CC1)CC2 ZINC000159553155 362342239 /nfs/dbraw/zinc/34/22/39/362342239.db2.gz OKBFYEGIIFQWFO-OAHLLOKOSA-N 1 0 288.391 1.668 20 70 CDIDRO C[N@@H+](Cc1cc(=O)n2ccccc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159764604 362514904 /nfs/dbraw/zinc/51/49/04/362514904.db2.gz FLZQFHGKQGNREQ-JSGCOSHPSA-N 1 0 287.363 1.287 20 70 CDIDRO CCCC[C@@H](COC)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000161165568 362707448 /nfs/dbraw/zinc/70/74/48/362707448.db2.gz NJZUUUJAHFEVMJ-LSDHHAIUSA-N 1 0 278.396 1.878 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccccc1 ZINC000161363098 362798692 /nfs/dbraw/zinc/79/86/92/362798692.db2.gz CSHTTXRPOROBNJ-AWEZNQCLSA-N 1 0 274.364 1.860 20 70 CDIDRO CC(C)(C)Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000161049404 188505305 /nfs/dbraw/zinc/50/53/05/188505305.db2.gz KMHXEVUFDJONIC-JTQLQIEISA-N 1 0 264.373 1.936 20 70 CDIDRO COc1ccc(/C=C/C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159804059 363328382 /nfs/dbraw/zinc/32/83/82/363328382.db2.gz AWOHGARBXKONIW-HYJLXUOHSA-N 1 0 274.364 1.904 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000160127508 283509644 /nfs/dbraw/zinc/50/96/44/283509644.db2.gz CKKSOVHCMZABHC-SNVBAGLBSA-N 1 0 291.376 1.294 20 70 CDIDRO CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000160977034 360463082 /nfs/dbraw/zinc/46/30/82/360463082.db2.gz GKRUKRMOBROJBQ-GJZGRUSLSA-N 1 0 294.395 1.607 20 70 CDIDRO Cn1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000160233468 363788411 /nfs/dbraw/zinc/78/84/11/363788411.db2.gz XGXVGIHXBFJIHG-LBPRGKRZSA-N 1 0 266.308 1.471 20 70 CDIDRO O=C(NCCCc1cccc(F)c1)[C@H]1CSCN1 ZINC000159450280 361701735 /nfs/dbraw/zinc/70/17/35/361701735.db2.gz RDLKFNKETPTRDE-GFCCVEGCSA-N 1 0 268.357 1.537 20 70 CDIDRO O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000159449280 364208528 /nfs/dbraw/zinc/20/85/28/364208528.db2.gz UHDONCUEOHJDIU-PMPSAXMXSA-N 1 0 288.391 1.502 20 70 CDIDRO Cc1cccc2c(CCNC(=O)[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000159559554 364233753 /nfs/dbraw/zinc/23/37/53/364233753.db2.gz SWEUEIUBYPSFDH-CQSZACIVSA-N 1 0 271.364 1.887 20 70 CDIDRO COc1cc(C)cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000159712641 364256083 /nfs/dbraw/zinc/25/60/83/364256083.db2.gz LGIZWUGSGXWYRK-CQSZACIVSA-N 1 0 291.395 1.897 20 70 CDIDRO C[NH+](C)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160747877 364405820 /nfs/dbraw/zinc/40/58/20/364405820.db2.gz YNJGFZLQBHWODC-GJZGRUSLSA-N 1 0 291.395 1.768 20 70 CDIDRO COc1ccc2cc(CN3CCNC(=O)C3)ccc2c1 ZINC000160487770 364362267 /nfs/dbraw/zinc/36/22/67/364362267.db2.gz ACBDAGUTKQJSTJ-UHFFFAOYSA-N 1 0 270.332 1.780 20 70 CDIDRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cn1 ZINC000160610877 364383129 /nfs/dbraw/zinc/38/31/29/364383129.db2.gz CFMBALCQTSBEDP-SECBINFHSA-N 1 0 292.305 1.793 20 70 CDIDRO CC[NH+](CC)CCNC(=O)NCCc1nc(C)c(C)s1 ZINC000160637395 364387279 /nfs/dbraw/zinc/38/72/79/364387279.db2.gz FBRSMZBAUOCUAG-UHFFFAOYSA-N 1 0 298.456 1.943 20 70 CDIDRO COc1ccccc1[C@@H](O)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161424275 364490979 /nfs/dbraw/zinc/49/09/79/364490979.db2.gz YDOJJXBBDGMADG-BBRMVZONSA-N 1 0 292.379 1.235 20 70 CDIDRO CCOC(=O)NCCCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161490443 364501249 /nfs/dbraw/zinc/50/12/49/364501249.db2.gz GFVYYPCHMHSXOA-OLZOCXBDSA-N 1 0 299.415 1.502 20 70 CDIDRO CO[C@@H](CNC(=O)C1([NH3+])CC1)c1cccc(Cl)c1 ZINC000161407333 364540757 /nfs/dbraw/zinc/54/07/57/364540757.db2.gz YUIYLUSNNHGLLH-NSHDSACASA-N 1 0 268.744 1.635 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Sc1ccccc1 ZINC000161118068 367130911 /nfs/dbraw/zinc/13/09/11/367130911.db2.gz FWXMEFICUFMAIU-NTZNESFSSA-N 1 0 280.393 1.006 20 70 CDIDRO CCOC(=O)[C@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000217682521 367257741 /nfs/dbraw/zinc/25/77/41/367257741.db2.gz PPMZRXQAKXAPBM-HNNXBMFYSA-N 1 0 276.380 1.928 20 70 CDIDRO Nc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217805490 367258217 /nfs/dbraw/zinc/25/82/17/367258217.db2.gz QTGLRKRCQRTPPX-KBPBESRZSA-N 1 0 259.353 1.625 20 70 CDIDRO CCNC(=O)CCCC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161126584 139911615 /nfs/dbraw/zinc/91/16/15/139911615.db2.gz OHBOOPLJTXTRMK-UHFFFAOYSA-N 1 0 283.416 1.141 20 70 CDIDRO C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccsc1 ZINC000160539101 377084508 /nfs/dbraw/zinc/08/45/08/377084508.db2.gz RLOFGFATTQDQIC-LBPRGKRZSA-N 1 0 296.436 1.672 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)o1 ZINC000160552566 377086752 /nfs/dbraw/zinc/08/67/52/377086752.db2.gz WPCPSLLPIIAXAE-UHFFFAOYSA-N 1 0 266.341 1.022 20 70 CDIDRO CCN(CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC000218409211 284960183 /nfs/dbraw/zinc/96/01/83/284960183.db2.gz LUDGHGFLQVSVBN-TZMCWYRMSA-N 1 0 288.457 1.416 20 70 CDIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCCNC2=O)C[C@H]1OC ZINC000160117351 391345155 /nfs/dbraw/zinc/34/51/55/391345155.db2.gz HSNSSLQPBXGUCQ-JHJVBQTASA-N 1 0 268.401 1.838 20 70 CDIDRO CCCCOC(=O)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160337154 391357021 /nfs/dbraw/zinc/35/70/21/391357021.db2.gz WQEIRWJBNKLAEN-KBPBESRZSA-N 1 0 268.401 1.888 20 70 CDIDRO CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000217811228 130763853 /nfs/dbraw/zinc/76/38/53/130763853.db2.gz ODGPSMMOSZIIGO-UXIGCNINSA-N 1 0 292.379 1.374 20 70 CDIDRO CCCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218612997 392975780 /nfs/dbraw/zinc/97/57/80/392975780.db2.gz AIFCWAQGFYBYMH-HUUCEWRRSA-N 1 0 295.471 1.955 20 70 CDIDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C)cc1C ZINC000216734774 140163269 /nfs/dbraw/zinc/16/32/69/140163269.db2.gz UYOFSRTZYAOMLZ-CYBMUJFWSA-N 1 0 282.409 1.628 20 70 CDIDRO OCC1([NH2+]Cc2ccn(C3CCCC3)n2)CCOCC1 ZINC000217828995 140165112 /nfs/dbraw/zinc/16/51/12/140165112.db2.gz GLGYUSKWACNLDK-UHFFFAOYSA-N 1 0 279.384 1.629 20 70 CDIDRO CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C12CCCC2 ZINC000159555266 286345318 /nfs/dbraw/zinc/34/53/18/286345318.db2.gz OPNUJJYQRFLDDJ-HZSPNIEDSA-N 1 0 296.411 1.219 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159941026 276630459 /nfs/dbraw/zinc/63/04/59/276630459.db2.gz KQOHZPRZBBBVNI-WCQYABFASA-N 1 0 293.342 1.127 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2cc(C)c(C)s2)[C@@H](C[NH3+])C1 ZINC000161130893 277339267 /nfs/dbraw/zinc/33/92/67/277339267.db2.gz IFULVFUIJJAQCT-NEPJUHHUSA-N 1 0 282.409 1.943 20 70 CDIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC(N)=O)CCO2 ZINC000161373951 277983194 /nfs/dbraw/zinc/98/31/94/277983194.db2.gz VBOMIKNYNUHUGT-CABZTGNLSA-N 1 0 264.325 1.372 20 70 CDIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159835445 279392937 /nfs/dbraw/zinc/39/29/37/279392937.db2.gz XPRIDRFWKZHZEQ-KWBADKCTSA-N 1 0 282.771 1.976 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)NC(C)(C)C ZINC000159416642 282069939 /nfs/dbraw/zinc/06/99/39/282069939.db2.gz ADSRQTOTKVINIE-UHFFFAOYSA-N 1 0 271.405 1.173 20 70 CDIDRO Cc1nccn1CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000159752642 292768050 /nfs/dbraw/zinc/76/80/50/292768050.db2.gz KGOZGXHBHQHFPW-UHFFFAOYSA-N 1 0 278.400 1.559 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000161185705 482867889 /nfs/dbraw/zinc/86/78/89/482867889.db2.gz IDYNJMNVAZWLJM-MNOVXSKESA-N 1 0 285.347 1.940 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC000161506329 482881047 /nfs/dbraw/zinc/88/10/47/482881047.db2.gz XQVIUXQSBKBFIW-PWSUYJOCSA-N 1 0 261.325 1.011 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160366999 519591688 /nfs/dbraw/zinc/59/16/88/519591688.db2.gz OFWBADVQLWCHJG-AWEZNQCLSA-N 1 0 297.443 1.529 20 70 CDIDRO CC(=O)NC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000160669358 519642042 /nfs/dbraw/zinc/64/20/42/519642042.db2.gz PANKCZLCOSLWFP-OKILXGFUSA-N 1 0 293.411 1.178 20 70 CDIDRO CCC(CC)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160570832 521495199 /nfs/dbraw/zinc/49/51/99/521495199.db2.gz BEGGEGRERRLBEZ-UHFFFAOYSA-N 1 0 256.390 1.243 20 70 CDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161026235 534592119 /nfs/dbraw/zinc/59/21/19/534592119.db2.gz ADFJSABVDXSKKY-ZNMIVQPWSA-N 1 0 280.412 1.840 20 70 CDIDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCC(F)(F)F)CC1 ZINC000160518866 522112382 /nfs/dbraw/zinc/11/23/82/522112382.db2.gz ZXHIDAWRWGHPPU-SECBINFHSA-N 1 0 267.295 1.674 20 70 CDIDRO CC[C@@H](C)c1cc(C(=O)NCCC[N@H+](C)CCOC)on1 ZINC000160435137 522418660 /nfs/dbraw/zinc/41/86/60/522418660.db2.gz WPJQPTBWOSPQDM-GFCCVEGCSA-N 1 0 297.399 1.886 20 70 CDIDRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000159396567 523641198 /nfs/dbraw/zinc/64/11/98/523641198.db2.gz GTFGVQMCAPOEOR-LBPRGKRZSA-N 1 0 290.367 1.186 20 70 CDIDRO COC(=O)[C@@H](O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161446232 523643350 /nfs/dbraw/zinc/64/33/50/523643350.db2.gz GUIGOSCFPJHGCZ-HNNXBMFYSA-N 1 0 298.427 1.108 20 70 CDIDRO Cc1csc(N2CCC([NH2+]CC(=O)NC(C)C)CC2)n1 ZINC000160925147 526377109 /nfs/dbraw/zinc/37/71/09/526377109.db2.gz YRCPXZWFUXGALO-UHFFFAOYSA-N 1 0 296.440 1.535 20 70 CDIDRO O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160561630 526962536 /nfs/dbraw/zinc/96/25/36/526962536.db2.gz QABDAWHSAYQZOE-RYUDHWBXSA-N 1 0 250.342 1.400 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161464692 527007983 /nfs/dbraw/zinc/00/79/83/527007983.db2.gz GRQFAHDONKITTM-LBPRGKRZSA-N 1 0 289.379 1.842 20 70 CDIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COCc1ccco1 ZINC000161145825 528876264 /nfs/dbraw/zinc/87/62/64/528876264.db2.gz XEXYJPOUTRWKHV-CQSZACIVSA-N 1 0 293.367 1.413 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159589493 361738373 /nfs/dbraw/zinc/73/83/73/361738373.db2.gz HPFIEPQMFXAZDG-QWRGUYRKSA-N 1 0 258.325 1.397 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cncs1)CC2 ZINC000160401785 282117309 /nfs/dbraw/zinc/11/73/09/282117309.db2.gz MFVOZIQKSQCMQT-WPRPVWTQSA-N 1 0 263.370 1.709 20 70 CDIDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(-n2cnnn2)c1 ZINC000159760614 539114679 /nfs/dbraw/zinc/11/46/79/539114679.db2.gz FVLFCFFGHKCAPK-LBPRGKRZSA-N 1 0 297.366 1.289 20 70 CDIDRO COCC[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000160158859 539115460 /nfs/dbraw/zinc/11/54/60/539115460.db2.gz DDCPWWZOJZQISZ-GXTWGEPZSA-N 1 0 268.401 1.935 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCC(=O)OC(C)C)CC1 ZINC000160224031 362070664 /nfs/dbraw/zinc/07/06/64/362070664.db2.gz FSTFTPSNVGIQSI-UHFFFAOYSA-N 1 0 299.415 1.455 20 70 CDIDRO Cc1cccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c1C ZINC000160052253 362391375 /nfs/dbraw/zinc/39/13/75/362391375.db2.gz IPOGRLBPKOIFLE-OAHLLOKOSA-N 1 0 275.396 1.911 20 70 CDIDRO CNC(=O)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160104502 362393566 /nfs/dbraw/zinc/39/35/66/362393566.db2.gz XKEZTGFXMUUDEG-UHFFFAOYSA-N 1 0 276.380 1.689 20 70 CDIDRO C[N@H+](CCc1ccc2c(c1)CCO2)[C@H](CN)C1CC1 ZINC000160168317 362401925 /nfs/dbraw/zinc/40/19/25/362401925.db2.gz LYLVNXOKWICVLM-OAHLLOKOSA-N 1 0 260.381 1.833 20 70 CDIDRO COCCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000160947154 362566206 /nfs/dbraw/zinc/56/62/06/362566206.db2.gz MNAUNAFRYLQQBF-KBPBESRZSA-N 1 0 297.443 1.785 20 70 CDIDRO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159709115 363213294 /nfs/dbraw/zinc/21/32/94/363213294.db2.gz URBMSPYAGFENDJ-RYUDHWBXSA-N 1 0 265.357 1.193 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000161174100 188513106 /nfs/dbraw/zinc/51/31/06/188513106.db2.gz KLYQHSMUVLVRDR-CHWSQXEVSA-N 1 0 262.353 1.488 20 70 CDIDRO CC(C)(O)CC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000159753153 363274906 /nfs/dbraw/zinc/27/49/06/363274906.db2.gz RAJOEXZSLRKEDI-LBPRGKRZSA-N 1 0 256.390 1.561 20 70 CDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159856522 363381112 /nfs/dbraw/zinc/38/11/12/363381112.db2.gz AVAKGMSAAGSVLU-ZDUSSCGKSA-N 1 0 294.443 1.112 20 70 CDIDRO C[N@H+](CC(=O)N1CCOC(C)(C)C1)[C@H]1CCSC1 ZINC000159986062 363545245 /nfs/dbraw/zinc/54/52/45/363545245.db2.gz ZSLRSILBBZALAQ-NSHDSACASA-N 1 0 272.414 1.061 20 70 CDIDRO CC(C)CNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161380400 538853393 /nfs/dbraw/zinc/85/33/93/538853393.db2.gz JHGKCKIFUPTDJY-AWEZNQCLSA-N 1 0 290.411 1.364 20 70 CDIDRO COCCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161053437 358783129 /nfs/dbraw/zinc/78/31/29/358783129.db2.gz YVUAEEFVEZWSGQ-AWEZNQCLSA-N 1 0 295.427 1.683 20 70 CDIDRO O=C(N[C@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000159460544 359240139 /nfs/dbraw/zinc/24/01/39/359240139.db2.gz OBROKFZMCGRACR-ZDUSSCGKSA-N 1 0 281.400 1.435 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000161088267 360644110 /nfs/dbraw/zinc/64/41/10/360644110.db2.gz YZCJMJHZLBNSRW-IUODEOHRSA-N 1 0 292.448 1.988 20 70 CDIDRO Cc1oc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000160450086 361456784 /nfs/dbraw/zinc/45/67/84/361456784.db2.gz BLXRABCPFJGMSN-CQSZACIVSA-N 1 0 294.395 1.781 20 70 CDIDRO CC[C@H](C(=O)NCCOc1ncccc1Cl)[NH+](C)C ZINC000159390247 364196830 /nfs/dbraw/zinc/19/68/30/364196830.db2.gz AZFNENBYFBLDBY-LLVKDONJSA-N 1 0 285.775 1.570 20 70 CDIDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1C(=O)NC(C)C ZINC000159498376 364220769 /nfs/dbraw/zinc/22/07/69/364220769.db2.gz YGCHRBAFOWJUKS-JTQLQIEISA-N 1 0 263.341 1.419 20 70 CDIDRO COCCCNC(=O)C[N@H+](C)CCC1CCCC1 ZINC000159679104 364251325 /nfs/dbraw/zinc/25/13/25/364251325.db2.gz NLNFMTNIZRNOJD-UHFFFAOYSA-N 1 0 256.390 1.651 20 70 CDIDRO [NH3+]CCC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508430 364223486 /nfs/dbraw/zinc/22/34/86/364223486.db2.gz YMEUSJOMCCALKF-OAHLLOKOSA-N 1 0 296.798 1.961 20 70 CDIDRO Cc1cccc(C)c1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160211163 364319841 /nfs/dbraw/zinc/31/98/41/364319841.db2.gz OGAXJUGFYCNKOE-AWEZNQCLSA-N 1 0 260.381 1.962 20 70 CDIDRO COc1cc(CCNC(=O)[C@H]2CCC[NH2+]C2)ccc1C ZINC000160322567 364336218 /nfs/dbraw/zinc/33/62/18/364336218.db2.gz DDHRYRURZWPMOJ-AWEZNQCLSA-N 1 0 276.380 1.662 20 70 CDIDRO CCOc1ccccc1OCC(=O)NCC(C)(C)[NH3+] ZINC000159978800 364289642 /nfs/dbraw/zinc/28/96/42/364289642.db2.gz GHGRACDJZHXTIQ-UHFFFAOYSA-N 1 0 266.341 1.318 20 70 CDIDRO Cc1ccccc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160034815 364297631 /nfs/dbraw/zinc/29/76/31/364297631.db2.gz DTQZOIDXDHDGCZ-MRXNPFEDSA-N 1 0 290.407 1.501 20 70 CDIDRO COc1ccc(-c2ncc(C(=O)NCCC[NH3+])s2)cc1 ZINC000160110204 364306949 /nfs/dbraw/zinc/30/69/49/364306949.db2.gz FKXVSHXJVHAHEP-UHFFFAOYSA-N 1 0 291.376 1.897 20 70 CDIDRO CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160184443 364316171 /nfs/dbraw/zinc/31/61/71/364316171.db2.gz LJVQRQIGGXUQPG-WXJAXGNASA-N 1 0 273.336 1.218 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000160786901 364408935 /nfs/dbraw/zinc/40/89/35/364408935.db2.gz IHDJKRCDGJNHGR-HNNXBMFYSA-N 1 0 284.363 1.365 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000160479179 364359162 /nfs/dbraw/zinc/35/91/62/364359162.db2.gz GZBWZTYOSXJSHT-NSHDSACASA-N 1 0 264.373 1.380 20 70 CDIDRO COc1ccc([C@@H](C)CCNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000160555353 364371836 /nfs/dbraw/zinc/37/18/36/364371836.db2.gz ZRMNKCQNCLCQFG-WFASDCNBSA-N 1 0 292.379 1.293 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000160572291 364376286 /nfs/dbraw/zinc/37/62/86/364376286.db2.gz CAXIIQWYZSUSFS-GFCCVEGCSA-N 1 0 298.333 1.541 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160603549 364381350 /nfs/dbraw/zinc/38/13/50/364381350.db2.gz IMQWJTYSNLUVAX-CQSZACIVSA-N 1 0 262.353 1.263 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000160620755 364382097 /nfs/dbraw/zinc/38/20/97/364382097.db2.gz PNTVZSPYLTWFRL-KBPBESRZSA-N 1 0 261.369 1.110 20 70 CDIDRO CCN(Cc1cnn(C)c1)C(=O)C(CC)(CC)C[NH3+] ZINC000161275454 368151479 /nfs/dbraw/zinc/15/14/79/368151479.db2.gz XERJQIIPMSHQGW-UHFFFAOYSA-N 1 0 266.389 1.534 20 70 CDIDRO Cc1ccc(CCNC(=O)NCCC[NH+](C)C)cc1 ZINC000217307829 375610571 /nfs/dbraw/zinc/61/05/71/375610571.db2.gz DOCQARUPWSFISY-UHFFFAOYSA-N 1 0 263.385 1.788 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC[NH2+]CC1 ZINC000161504566 375649819 /nfs/dbraw/zinc/64/98/19/375649819.db2.gz VJKWVQHVCDOPAB-OAHLLOKOSA-N 1 0 290.363 1.792 20 70 CDIDRO [NH3+]CCCNC(=O)c1ccc(F)cc1OC(F)F ZINC000160041115 376999338 /nfs/dbraw/zinc/99/93/38/376999338.db2.gz VBEWDUCZNZXUEO-UHFFFAOYSA-N 1 0 262.231 1.506 20 70 CDIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000160147360 377050611 /nfs/dbraw/zinc/05/06/11/377050611.db2.gz OBDRIADKTZSNRN-NEPJUHHUSA-N 1 0 272.389 1.596 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1c(F)cccc1F ZINC000160707988 377095830 /nfs/dbraw/zinc/09/58/30/377095830.db2.gz PNXAUABRTAUYKM-UHFFFAOYSA-N 1 0 298.333 1.399 20 70 CDIDRO O=C(c1cc(F)ccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159789518 139905105 /nfs/dbraw/zinc/90/51/05/139905105.db2.gz UMQDVSPQFFEDDX-PHIMTYICSA-N 1 0 266.291 1.931 20 70 CDIDRO CCCCOCCCNC(=O)COC1CC[NH2+]CC1 ZINC000160310734 139910850 /nfs/dbraw/zinc/91/08/50/139910850.db2.gz BXFTZRYHUKQRSP-UHFFFAOYSA-N 1 0 272.389 1.078 20 70 CDIDRO Cc1ccc(C2(C(=O)NCC(C)(C)[NH3+])CCOCC2)cc1 ZINC000160003714 292089625 /nfs/dbraw/zinc/08/96/25/292089625.db2.gz VLXAHSKQLKOCEB-UHFFFAOYSA-N 1 0 290.407 1.897 20 70 CDIDRO C[C@@H](O)CC(C)(C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000160948123 260177840 /nfs/dbraw/zinc/17/78/40/260177840.db2.gz UAWUIMHYOHOUSS-LLVKDONJSA-N 1 0 256.390 1.419 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161095275 274501820 /nfs/dbraw/zinc/50/18/20/274501820.db2.gz JFNJVOBFRSCYKY-VYUIOLGVSA-N 1 0 250.317 1.913 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccco2)N(C)C)CC1 ZINC000161222067 277024514 /nfs/dbraw/zinc/02/45/14/277024514.db2.gz LCZSPTBFVUINDW-YMAMQOFZSA-N 1 0 293.411 1.919 20 70 CDIDRO CO[C@H]1CCN(C(=O)CC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000161122846 277338420 /nfs/dbraw/zinc/33/84/20/277338420.db2.gz STIPKHGGAPRIFF-KGLIPLIRSA-N 1 0 268.401 1.922 20 70 CDIDRO [NH3+]C[C@@H]1CCCCN1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000217603579 279635382 /nfs/dbraw/zinc/63/53/82/279635382.db2.gz HQTJROKTWPHKNN-HRCADAONSA-N 1 0 293.455 1.981 20 70 CDIDRO O=C(/C=C\c1ccc(F)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000217463415 280088968 /nfs/dbraw/zinc/08/89/68/280088968.db2.gz PACRVKLAWJNURX-UJZCVKTISA-N 1 0 262.328 1.955 20 70 CDIDRO COc1ccc(C(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000159421435 292758821 /nfs/dbraw/zinc/75/88/21/292758821.db2.gz HECZMQKGQZPMHU-UHFFFAOYSA-N 1 0 299.168 1.503 20 70 CDIDRO C[NH+]1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159567168 292761815 /nfs/dbraw/zinc/76/18/15/292761815.db2.gz FSQYXTCCSFXYGC-UHFFFAOYSA-N 1 0 265.401 1.960 20 70 CDIDRO CC[NH+](CC)CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159614403 292763356 /nfs/dbraw/zinc/76/33/56/292763356.db2.gz HMFVQLMHVUTNRN-UHFFFAOYSA-N 1 0 299.459 1.145 20 70 CDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ncccc1F ZINC000159615154 292763362 /nfs/dbraw/zinc/76/33/62/292763362.db2.gz AIIJYIPXIHXSIM-LBPRGKRZSA-N 1 0 294.374 1.894 20 70 CDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCC[C@@H](C)C1)C(=O)OC ZINC000159674738 292765468 /nfs/dbraw/zinc/76/54/68/292765468.db2.gz WLFDCUCNENBXDN-CYBMUJFWSA-N 1 0 298.427 1.814 20 70 CDIDRO C[C@H]([NH2+]CCC(C)(C)O)c1nnnn1-c1ccccc1 ZINC000159882516 292772906 /nfs/dbraw/zinc/77/29/06/292772906.db2.gz GGSQCNXCRQCTFT-NSHDSACASA-N 1 0 275.356 1.474 20 70 CDIDRO OCC1(C[NH2+]C[C@H](O)COc2ccccc2)CCCC1 ZINC000160135363 292777881 /nfs/dbraw/zinc/77/78/81/292777881.db2.gz SIFZCLYUTLUCJZ-AWEZNQCLSA-N 1 0 279.380 1.569 20 70 CDIDRO CS[C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000160314843 292783719 /nfs/dbraw/zinc/78/37/19/292783719.db2.gz HNRIMKLHVHLCAC-RYUDHWBXSA-N 1 0 258.431 1.976 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000160239088 295318312 /nfs/dbraw/zinc/31/83/12/295318312.db2.gz IJXJXLUHCDFRDY-KXUCPTDWSA-N 1 0 266.291 1.628 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000160238693 295318478 /nfs/dbraw/zinc/31/84/78/295318478.db2.gz IJXJXLUHCDFRDY-BBBLOLIVSA-N 1 0 266.291 1.628 20 70 CDIDRO CC(C)(CO)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000160163638 482787000 /nfs/dbraw/zinc/78/70/00/482787000.db2.gz ZJFFTRGRMJFCAH-ZDUSSCGKSA-N 1 0 285.359 1.311 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000160878418 482835364 /nfs/dbraw/zinc/83/53/64/482835364.db2.gz KIJIDYQSFBYVCP-RYUDHWBXSA-N 1 0 285.351 1.267 20 70 CDIDRO CN(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000161221856 482867983 /nfs/dbraw/zinc/86/79/83/482867983.db2.gz ZZQXWMMVPNTABZ-VXGBXAGGSA-N 1 0 262.357 1.147 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC000161311825 482873611 /nfs/dbraw/zinc/87/36/11/482873611.db2.gz NFQHHWSXUHYPAT-CHWSQXEVSA-N 1 0 280.343 1.981 20 70 CDIDRO CC(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000160762033 519220727 /nfs/dbraw/zinc/22/07/27/519220727.db2.gz JUCFKZCWVHMPGX-DZGCQCFKSA-N 1 0 298.427 1.153 20 70 CDIDRO CCCCOCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161375997 520781426 /nfs/dbraw/zinc/78/14/26/520781426.db2.gz ONDSXEKPLJQJTE-UHFFFAOYSA-N 1 0 256.390 1.840 20 70 CDIDRO CCOCCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000160879154 521688535 /nfs/dbraw/zinc/68/85/35/521688535.db2.gz WJYHGMRDNHFSKH-ZDUSSCGKSA-N 1 0 268.401 1.794 20 70 CDIDRO COC(C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)OC ZINC000160994976 522532929 /nfs/dbraw/zinc/53/29/29/522532929.db2.gz BLPCVTBPGFHNPS-NSHDSACASA-N 1 0 280.372 1.023 20 70 CDIDRO COC(=O)[C@H](C)C[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160415391 523863527 /nfs/dbraw/zinc/86/35/27/523863527.db2.gz LTVRGIMVOAAMEL-LLVKDONJSA-N 1 0 275.352 1.884 20 70 CDIDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000160944790 524080575 /nfs/dbraw/zinc/08/05/75/524080575.db2.gz MWJTXJKIBZDLSV-NSHDSACASA-N 1 0 260.341 1.148 20 70 CDIDRO Cc1noc([C@@H]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000161264845 526651778 /nfs/dbraw/zinc/65/17/78/526651778.db2.gz NHAKEAKQCQFWIL-IUODEOHRSA-N 1 0 292.383 1.474 20 70 CDIDRO COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(OC)c1 ZINC000159781560 536698480 /nfs/dbraw/zinc/69/84/80/536698480.db2.gz QOISYVHWKOHPPF-ZDUSSCGKSA-N 1 0 278.352 1.513 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000160246031 342072975 /nfs/dbraw/zinc/07/29/75/342072975.db2.gz SSASFHCQZIBOMS-ZDUSSCGKSA-N 1 0 285.359 1.718 20 70 CDIDRO C[NH2+]CCNCc1cc(Br)ccc1F ZINC000161243893 362186195 /nfs/dbraw/zinc/18/61/95/362186195.db2.gz VWDCINKFYYJULK-UHFFFAOYSA-N 1 0 261.138 1.897 20 70 CDIDRO Cc1nn(C)c2nc(C)cc(C(=O)NCC(C)(C)[NH3+])c12 ZINC000160015337 282284149 /nfs/dbraw/zinc/28/41/49/282284149.db2.gz BYXZUDWIFCXBEG-UHFFFAOYSA-N 1 0 275.356 1.052 20 70 CDIDRO Cc1ccccc1NC(=O)CN1CC[C@H](O)[C@H](C)C1 ZINC000159404957 362319266 /nfs/dbraw/zinc/31/92/66/362319266.db2.gz NVZZUBPNLZLOLS-OCCSQVGLSA-N 1 0 262.353 1.636 20 70 CDIDRO CCOc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159857381 362376097 /nfs/dbraw/zinc/37/60/97/362376097.db2.gz HBMRUTLQDIRAJB-AWEZNQCLSA-N 1 0 262.353 1.895 20 70 CDIDRO CN(Cc1nc(Cc2ccccc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160166778 362401877 /nfs/dbraw/zinc/40/18/77/362401877.db2.gz VCAPALKPZJFNKZ-AWEZNQCLSA-N 1 0 286.379 1.830 20 70 CDIDRO C[C@H](C[NH3+])NC(=O)c1c(F)cccc1Br ZINC000160219794 362405275 /nfs/dbraw/zinc/40/52/75/362405275.db2.gz NUSIHTCUTAXZBJ-ZCFIWIBFSA-N 1 0 275.121 1.665 20 70 CDIDRO C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160640590 346184498 /nfs/dbraw/zinc/18/44/98/346184498.db2.gz IBVMNXRMQAOROE-GXTWGEPZSA-N 1 0 265.401 1.912 20 70 CDIDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159502536 188429109 /nfs/dbraw/zinc/42/91/09/188429109.db2.gz XFFLYWGAXSWAIO-AGIUHOORSA-N 1 0 294.395 1.574 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)C1 ZINC000160240957 188461297 /nfs/dbraw/zinc/46/12/97/188461297.db2.gz WZLZQGBNHYMOKY-FHKCNRDCSA-N 1 0 296.783 1.622 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000160263428 188462910 /nfs/dbraw/zinc/46/29/10/188462910.db2.gz FOTJFGMROJOHSE-ZDUSSCGKSA-N 1 0 298.346 1.832 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1C ZINC000160320498 188465924 /nfs/dbraw/zinc/46/59/24/188465924.db2.gz IBJKVCNCVKYLTG-GHMZBOCLSA-N 1 0 250.346 1.586 20 70 CDIDRO CN(CC1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000159764029 363285791 /nfs/dbraw/zinc/28/57/91/363285791.db2.gz GQDLOTLTBZHMLI-CYBMUJFWSA-N 1 0 269.389 1.149 20 70 CDIDRO CCCn1nccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160089897 482781369 /nfs/dbraw/zinc/78/13/69/482781369.db2.gz WEZQXXFOZSZMHM-ZDUSSCGKSA-N 1 0 262.401 1.867 20 70 CDIDRO CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000216785241 358963368 /nfs/dbraw/zinc/96/33/68/358963368.db2.gz CYVJQRHHLFLKKY-LBPRGKRZSA-N 1 0 262.353 1.448 20 70 CDIDRO O[C@]1(C(F)(F)F)CCN(CCC[NH+]2CCCCC2)C1 ZINC000161442483 237202174 /nfs/dbraw/zinc/20/21/74/237202174.db2.gz XWRZBXGJSOAGKU-GFCCVEGCSA-N 1 0 280.334 1.862 20 70 CDIDRO COC(=O)c1cccc(CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160006414 360315467 /nfs/dbraw/zinc/31/54/67/360315467.db2.gz PXSOLPMOUTVNMD-CQSZACIVSA-N 1 0 262.353 1.642 20 70 CDIDRO CCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217779829 360441643 /nfs/dbraw/zinc/44/16/43/360441643.db2.gz GKISWOWMXQUIKE-GDLCADMTSA-N 1 0 262.353 1.149 20 70 CDIDRO CCc1nnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000159421401 361693475 /nfs/dbraw/zinc/69/34/75/361693475.db2.gz QXTZXLJWGJZXOQ-OCCSQVGLSA-N 1 0 289.427 1.816 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000159457573 364211356 /nfs/dbraw/zinc/21/13/56/364211356.db2.gz YGVBMKAZLJHSIU-SMDDNHRTSA-N 1 0 280.343 1.634 20 70 CDIDRO CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000159488528 364216706 /nfs/dbraw/zinc/21/67/06/364216706.db2.gz GYEJFJBPTQECOT-HNNXBMFYSA-N 1 0 290.407 1.750 20 70 CDIDRO CNC(=O)c1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159767342 364261765 /nfs/dbraw/zinc/26/17/65/364261765.db2.gz ABSUUHYQHNZWQZ-UHFFFAOYSA-N 1 0 289.379 1.438 20 70 CDIDRO Cc1nc(-c2ccco2)ccc1C(=O)NCCC[NH3+] ZINC000160036970 364297652 /nfs/dbraw/zinc/29/76/52/364297652.db2.gz KYXQTEHZFMUDNX-UHFFFAOYSA-N 1 0 259.309 1.729 20 70 CDIDRO [NH3+]CC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160050981 364298786 /nfs/dbraw/zinc/29/87/86/364298786.db2.gz KKRDPXWTFIRZGP-UHFFFAOYSA-N 1 0 283.169 1.556 20 70 CDIDRO CCOc1cc(CCCNC(=O)[C@@H]([NH3+])CC)ccc1OC ZINC000160063769 364300144 /nfs/dbraw/zinc/30/01/44/364300144.db2.gz ODJDQOBQYKLXEZ-ZDUSSCGKSA-N 1 0 294.395 1.880 20 70 CDIDRO CCOc1ccc(/C=C/C(=O)NCCC[NH3+])cc1OCC ZINC000160077719 364304465 /nfs/dbraw/zinc/30/44/65/364304465.db2.gz BZJNOXNDPUKMHF-VQHVLOKHSA-N 1 0 292.379 1.962 20 70 CDIDRO C[NH2+]C[C@@H](C)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160542523 364371274 /nfs/dbraw/zinc/37/12/74/364371274.db2.gz FDVJYRJXCAUMDP-LLVKDONJSA-N 1 0 264.344 1.829 20 70 CDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2cnn(C)c2C)C1 ZINC000160664018 364392765 /nfs/dbraw/zinc/39/27/65/364392765.db2.gz BTJQVWUASUKDMG-GFUIURDCSA-N 1 0 276.384 1.200 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000160718574 364400321 /nfs/dbraw/zinc/40/03/21/364400321.db2.gz QFQBGXPXIHKKNO-UHFFFAOYSA-N 1 0 262.353 1.121 20 70 CDIDRO O=C(NOCc1cccnc1)NC1CC[NH+](C2CC2)CC1 ZINC000161039581 364441220 /nfs/dbraw/zinc/44/12/20/364441220.db2.gz JDUWVEHXOSUNCF-UHFFFAOYSA-N 1 0 290.367 1.439 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000160850802 364419014 /nfs/dbraw/zinc/41/90/14/364419014.db2.gz QOPJJTDDDIVCDT-WCQYABFASA-N 1 0 250.342 1.082 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(C)c(OC)c1 ZINC000161221266 364466207 /nfs/dbraw/zinc/46/62/07/364466207.db2.gz RZQKJRYUVYMURU-AWEZNQCLSA-N 1 0 276.380 1.757 20 70 CDIDRO CCCN(CCC[NH+]1CCCCC1)CC(=O)N(C)C ZINC000161291919 364475180 /nfs/dbraw/zinc/47/51/80/364475180.db2.gz ZMJLBKRMKNYFKT-UHFFFAOYSA-N 1 0 269.433 1.663 20 70 CDIDRO CCc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217779905 367258317 /nfs/dbraw/zinc/25/83/17/367258317.db2.gz GKISWOWMXQUIKE-LERXQTSPSA-N 1 0 262.353 1.149 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(COC)cc1 ZINC000161328834 370231986 /nfs/dbraw/zinc/23/19/86/370231986.db2.gz OORRPVDDOSJVQP-CQSZACIVSA-N 1 0 262.353 1.657 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)CSC[C@H]1CCCCO1 ZINC000160326756 377056941 /nfs/dbraw/zinc/05/69/41/377056941.db2.gz HOGFGZAMJXOYER-VXGBXAGGSA-N 1 0 272.414 1.238 20 70 CDIDRO [NH3+]CCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000217244913 130759116 /nfs/dbraw/zinc/75/91/16/130759116.db2.gz BBAHCTSVNHNETJ-UHFFFAOYSA-N 1 0 283.169 1.556 20 70 CDIDRO C[C@H](CNC(=O)Cc1cccc(N)c1)[N@H+](C)C1CC1 ZINC000217974604 140164264 /nfs/dbraw/zinc/16/42/64/140164264.db2.gz BTWHGCHZTBZKDM-LLVKDONJSA-N 1 0 261.369 1.410 20 70 CDIDRO C[C@@H](CNC(=O)Cc1cccc(N)c1)[N@H+](C)C1CC1 ZINC000217974533 140164460 /nfs/dbraw/zinc/16/44/60/140164460.db2.gz BTWHGCHZTBZKDM-NSHDSACASA-N 1 0 261.369 1.410 20 70 CDIDRO CC[N@H+](CCNC(=O)Cc1cccc(N)c1)C1CC1 ZINC000217924158 140165125 /nfs/dbraw/zinc/16/51/25/140165125.db2.gz QRIPHXKFURSXSK-UHFFFAOYSA-N 1 0 261.369 1.412 20 70 CDIDRO CCOC(=O)c1coc(NCC[N@H+](C)[C@H](C)CC)n1 ZINC000218242277 140165162 /nfs/dbraw/zinc/16/51/62/140165162.db2.gz MRUMXFKOYPWDNS-SNVBAGLBSA-N 1 0 269.345 1.994 20 70 CDIDRO COCCN(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000159375687 262350615 /nfs/dbraw/zinc/35/06/15/262350615.db2.gz YKGOFMGUVULWDM-ZDUSSCGKSA-N 1 0 268.376 1.925 20 70 CDIDRO CC[NH+](CC)[C@H](C(=O)NC[C@H](O)COC)c1ccccc1 ZINC000159545274 276337849 /nfs/dbraw/zinc/33/78/49/276337849.db2.gz QLXFHIKZYLRRFT-GJZGRUSLSA-N 1 0 294.395 1.193 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000161155905 277027800 /nfs/dbraw/zinc/02/78/00/277027800.db2.gz BJCNLJHXNXBYPT-KGLIPLIRSA-N 1 0 276.380 1.973 20 70 CDIDRO C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCCC[C@H]1O ZINC000160844575 280155745 /nfs/dbraw/zinc/15/57/45/280155745.db2.gz NOJZLLZFACYLLW-OUCADQQQSA-N 1 0 254.374 1.186 20 70 CDIDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2cscn2)C1 ZINC000159581062 292762557 /nfs/dbraw/zinc/76/25/57/292762557.db2.gz MXMPJCUWBNNDAN-GFCCVEGCSA-N 1 0 282.413 1.421 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000160847380 482832735 /nfs/dbraw/zinc/83/27/35/482832735.db2.gz JTPNKKOERKUMBC-CHWSQXEVSA-N 1 0 285.351 1.267 20 70 CDIDRO CCC(CC)(CO)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000161373862 521452482 /nfs/dbraw/zinc/45/24/82/521452482.db2.gz ZTRMEGJYKMKINR-UHFFFAOYSA-N 1 0 264.369 1.674 20 70 CDIDRO CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160808883 521664800 /nfs/dbraw/zinc/66/48/00/521664800.db2.gz GMAIIGGBYRJARS-AWEZNQCLSA-N 1 0 294.443 1.350 20 70 CDIDRO CCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160946214 521669363 /nfs/dbraw/zinc/66/93/63/521669363.db2.gz FSBYMMYBRNAJQH-UHFFFAOYSA-N 1 0 288.457 1.969 20 70 CDIDRO COCCCN(CCc1ccc(OC)cc1)C(=O)[C@H](C)[NH3+] ZINC000160880162 523260190 /nfs/dbraw/zinc/26/01/90/523260190.db2.gz MHSKFPBWQZSEKV-ZDUSSCGKSA-N 1 0 294.395 1.450 20 70 CDIDRO CO[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000161099492 523989180 /nfs/dbraw/zinc/98/91/80/523989180.db2.gz NCKDPUCCTPKACK-MNOVXSKESA-N 1 0 268.401 1.633 20 70 CDIDRO Cc1ccc(CC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160692833 524260381 /nfs/dbraw/zinc/26/03/81/524260381.db2.gz ZBXZRCKTNQGMQX-UHFFFAOYSA-N 1 0 290.407 1.358 20 70 CDIDRO Cc1nc2ccccn2c1C[N@H+](C)CCN1CCOCC1 ZINC000160372220 527176838 /nfs/dbraw/zinc/17/68/38/527176838.db2.gz IYCSIBPQAHFLHR-UHFFFAOYSA-N 1 0 288.395 1.407 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000160500956 527899097 /nfs/dbraw/zinc/89/90/97/527899097.db2.gz MZHVGVVAIJIFSV-YWPYICTPSA-N 1 0 268.401 1.648 20 70 CDIDRO CC(C)S(=O)(=O)CCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000160851401 528295712 /nfs/dbraw/zinc/29/57/12/528295712.db2.gz DDUWAPQUQCOSHX-CYBMUJFWSA-N 1 0 289.441 1.701 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000159548087 528895100 /nfs/dbraw/zinc/89/51/00/528895100.db2.gz WLBSOKLBXHFBFW-CQSZACIVSA-N 1 0 271.405 1.537 20 70 CDIDRO C[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159664617 361765428 /nfs/dbraw/zinc/76/54/28/361765428.db2.gz BTVJBCRPYNHECW-GJZGRUSLSA-N 1 0 295.427 1.585 20 70 CDIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000160263300 361799420 /nfs/dbraw/zinc/79/94/20/361799420.db2.gz FOTJFGMROJOHSE-CYBMUJFWSA-N 1 0 298.346 1.832 20 70 CDIDRO Cc1noc(C)c1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000159577170 342072796 /nfs/dbraw/zinc/07/27/96/342072796.db2.gz USNKPSHPFJZLTF-UHFFFAOYSA-N 1 0 273.336 1.609 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159807113 361869014 /nfs/dbraw/zinc/86/90/14/361869014.db2.gz YBUBMJPMGPISKJ-GXTWGEPZSA-N 1 0 294.370 1.766 20 70 CDIDRO COc1cccc(O[C@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161132170 361883150 /nfs/dbraw/zinc/88/31/50/361883150.db2.gz JHOGTYJYBZYPAD-OLZOCXBDSA-N 1 0 292.379 1.721 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(NC(N)=O)c1 ZINC000161212508 361923622 /nfs/dbraw/zinc/92/36/22/361923622.db2.gz JQGUHZKSPWSMBC-LBPRGKRZSA-N 1 0 276.340 1.001 20 70 CDIDRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000217754215 539080112 /nfs/dbraw/zinc/08/01/12/539080112.db2.gz WEGAQGJCAJBCGM-KCPJHIHWSA-N 1 0 290.407 1.884 20 70 CDIDRO CC[C@@H](C(=O)NCCNC(=O)CC1CCCC1)[NH+](C)C ZINC000160049082 539115238 /nfs/dbraw/zinc/11/52/38/539115238.db2.gz OAYJLUZQEDXLEO-ZDUSSCGKSA-N 1 0 283.416 1.139 20 70 CDIDRO CC(=O)NC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161303466 539117549 /nfs/dbraw/zinc/11/75/49/539117549.db2.gz HCYPCMKYFVGBAL-UHFFFAOYSA-N 1 0 267.417 1.463 20 70 CDIDRO CCOc1cc2c(cc1NC(=O)[C@@H]([NH3+])COC)O[C@H](C)C2 ZINC000159424400 362321097 /nfs/dbraw/zinc/32/10/97/362321097.db2.gz QVHZLNPYSRKMBE-KOLCDFICSA-N 1 0 294.351 1.321 20 70 CDIDRO CCN(C(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000160058526 362391498 /nfs/dbraw/zinc/39/14/98/362391498.db2.gz WWKWNKUJTCTQAF-HNNXBMFYSA-N 1 0 275.396 1.709 20 70 CDIDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)OCCCO3)CCOC1 ZINC000160088970 362392609 /nfs/dbraw/zinc/39/26/09/362392609.db2.gz YZWNPDQKDPLRLK-MRXNPFEDSA-N 1 0 293.363 1.743 20 70 CDIDRO CCOc1cc(C[NH2+]C[C@]2(OC)CCOC2)ccc1O ZINC000160139549 362396589 /nfs/dbraw/zinc/39/65/89/362396589.db2.gz AOADWRUNAWXZID-OAHLLOKOSA-N 1 0 281.352 1.686 20 70 CDIDRO CO[C@@]1(C[NH2+][C@H]2CCOC3(CCOCC3)C2)CCOC1 ZINC000160345242 362415719 /nfs/dbraw/zinc/41/57/19/362415719.db2.gz GQCSAPXFPFTEIN-DZGCQCFKSA-N 1 0 285.384 1.110 20 70 CDIDRO CO[C@H]1CCN(C(=O)CCc2ccco2)[C@@H](C[NH3+])C1 ZINC000161077328 362560882 /nfs/dbraw/zinc/56/08/82/362560882.db2.gz ZQJYTPAJIYKFHW-YPMHNXCESA-N 1 0 266.341 1.177 20 70 CDIDRO Cc1nn(C)c(C)c1OCC(=O)NCC1([NH3+])CCCCC1 ZINC000159687170 188437461 /nfs/dbraw/zinc/43/74/61/188437461.db2.gz DEDGPWZPQKWQMP-UHFFFAOYSA-N 1 0 294.399 1.194 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 ZINC000160312331 188465951 /nfs/dbraw/zinc/46/59/51/188465951.db2.gz WXQYXBJUEXEDGG-OLZOCXBDSA-N 1 0 290.363 1.418 20 70 CDIDRO CC(C)Cc1nc(C(=O)N2CCC[C@H]2C[NH3+])cs1 ZINC000160322011 188466570 /nfs/dbraw/zinc/46/65/70/188466570.db2.gz MAFVZSJQUPWAKF-JTQLQIEISA-N 1 0 267.398 1.905 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000161155771 188512010 /nfs/dbraw/zinc/51/20/10/188512010.db2.gz BJCNLJHXNXBYPT-KBPBESRZSA-N 1 0 276.380 1.973 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000161340251 188522581 /nfs/dbraw/zinc/52/25/81/188522581.db2.gz NVSKAONDNNGLDI-ZUEPYMLJSA-N 1 0 294.370 1.896 20 70 CDIDRO CSCCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000160374334 358601373 /nfs/dbraw/zinc/60/13/73/358601373.db2.gz GPEJPZPBNRRRRG-LBPRGKRZSA-N 1 0 273.446 1.721 20 70 CDIDRO CCCC[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159485378 358640993 /nfs/dbraw/zinc/64/09/93/358640993.db2.gz AEODFKAHJJVNAE-XQQFMLRXSA-N 1 0 257.374 1.811 20 70 CDIDRO CN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160882533 358776756 /nfs/dbraw/zinc/77/67/56/358776756.db2.gz PFIGXFRLISGRTM-UKRRQHHQSA-N 1 0 295.427 1.824 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161174593 358790891 /nfs/dbraw/zinc/79/08/91/358790891.db2.gz KNIZLQVBLJFQJV-DOMZBBRYSA-N 1 0 280.343 1.580 20 70 CDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1CCC(C)(C)CC1 ZINC000160096302 363666630 /nfs/dbraw/zinc/66/66/30/363666630.db2.gz ZCZDFSMOMXEKJU-AWEZNQCLSA-N 1 0 295.471 1.955 20 70 CDIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000160846039 361380681 /nfs/dbraw/zinc/38/06/81/361380681.db2.gz ANYDORKVDLOOFS-SGMGOOAPSA-N 1 0 256.390 1.417 20 70 CDIDRO CCCO[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000159471417 361709639 /nfs/dbraw/zinc/70/96/39/361709639.db2.gz RBURCOLUTBOFPO-UONOGXRCSA-N 1 0 268.401 1.794 20 70 CDIDRO C[C@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000160409406 363849661 /nfs/dbraw/zinc/84/96/61/363849661.db2.gz ZRLBLDNWBYNRDY-JKSUJKDBSA-N 1 0 295.471 1.957 20 70 CDIDRO COCCOCc1cc(C(=O)N2CC[NH2+]CC2)ccc1F ZINC000159378082 364195366 /nfs/dbraw/zinc/19/53/66/364195366.db2.gz YNEYUERNXIWIEP-UHFFFAOYSA-N 1 0 296.342 1.034 20 70 CDIDRO COC(=O)c1cc(C[N@H+](C)C[C@H]2CCCO2)oc1C ZINC000159403550 364200253 /nfs/dbraw/zinc/20/02/53/364200253.db2.gz SBDSIWHKXFQOJV-LLVKDONJSA-N 1 0 267.325 1.985 20 70 CDIDRO COc1cccc(C2(CNC(=O)[C@@H](C)[NH3+])CCCC2)c1 ZINC000159476744 364215405 /nfs/dbraw/zinc/21/54/05/364215405.db2.gz LTEDJUQJYAHGNG-GFCCVEGCSA-N 1 0 276.380 1.970 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000159363784 364191313 /nfs/dbraw/zinc/19/13/13/364191313.db2.gz RUCPCCPSJVDRRW-UWVGGRQHSA-N 1 0 270.760 1.980 20 70 CDIDRO Cc1nn(C)c2ncc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc12 ZINC000159662564 364247745 /nfs/dbraw/zinc/24/77/45/364247745.db2.gz KQEASJYDRSAXPP-HIFRSBDPSA-N 1 0 288.395 1.870 20 70 CDIDRO Cc1csc([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000159744364 364260490 /nfs/dbraw/zinc/26/04/90/364260490.db2.gz VLSQGJUYQUWXKD-GXSJLCMTSA-N 1 0 267.398 1.765 20 70 CDIDRO CN(C(=O)CC[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745290 364260713 /nfs/dbraw/zinc/26/07/13/364260713.db2.gz CGUFGKFGMVIZKW-LBPRGKRZSA-N 1 0 295.770 1.253 20 70 CDIDRO Cc1cnc([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC000159822972 364270192 /nfs/dbraw/zinc/27/01/92/364270192.db2.gz IXJHYNKHWFHMPO-MWLCHTKSSA-N 1 0 267.398 1.765 20 70 CDIDRO CC[C@H](C(=O)NC[C@H](O)c1cccc(F)c1)[NH+](C)C ZINC000160332042 364336874 /nfs/dbraw/zinc/33/68/74/364336874.db2.gz OLPZTMULTHUEHH-OLZOCXBDSA-N 1 0 268.332 1.316 20 70 CDIDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccc(F)cc1 ZINC000159985286 364290665 /nfs/dbraw/zinc/29/06/65/364290665.db2.gz WKFQWULOPZNRNE-UHFFFAOYSA-N 1 0 290.342 1.787 20 70 CDIDRO Cc1cc(-n2c(C)cc(C(=O)NCC(C)(C)[NH3+])c2C)no1 ZINC000160018704 364296118 /nfs/dbraw/zinc/29/61/18/364296118.db2.gz PNCRAKGPQSEPTI-UHFFFAOYSA-N 1 0 290.367 1.858 20 70 CDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(N)=O ZINC000160067509 364302803 /nfs/dbraw/zinc/30/28/03/364302803.db2.gz GEGRQVKOYRKDHU-ZDUSSCGKSA-N 1 0 290.411 1.494 20 70 CDIDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160463088 364355673 /nfs/dbraw/zinc/35/56/73/364355673.db2.gz VBBSDVJXCDZOTO-OAHLLOKOSA-N 1 0 290.407 1.880 20 70 CDIDRO CCc1cc(=O)[nH]c(CN2CC[NH+](C3CCCC3)CC2)n1 ZINC000160759697 364406172 /nfs/dbraw/zinc/40/61/72/364406172.db2.gz VYBCQVXXNVQYDM-UHFFFAOYSA-N 1 0 290.411 1.805 20 70 CDIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000160697936 364397083 /nfs/dbraw/zinc/39/70/83/364397083.db2.gz LNRGNSNCAIPHAX-DOMZBBRYSA-N 1 0 274.364 1.321 20 70 CDIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157184 364456350 /nfs/dbraw/zinc/45/63/50/364456350.db2.gz YVDOKBGUILWRHW-JMSVASOKSA-N 1 0 294.395 1.952 20 70 CDIDRO CS[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160914656 364425390 /nfs/dbraw/zinc/42/53/90/364425390.db2.gz VMATXPVSVFFRNA-UTUOFQBUSA-N 1 0 273.446 1.910 20 70 CDIDRO CC(C)c1ccc(C(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000161199422 364462408 /nfs/dbraw/zinc/46/24/08/364462408.db2.gz BFKBEDIRASMKDZ-ZDUSSCGKSA-N 1 0 291.395 1.656 20 70 CDIDRO CCc1ncc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cn1 ZINC000161188228 364461045 /nfs/dbraw/zinc/46/10/45/364461045.db2.gz LSIJRSAZQMKZQY-ZDUSSCGKSA-N 1 0 291.399 1.987 20 70 CDIDRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217520589 373716416 /nfs/dbraw/zinc/71/64/16/373716416.db2.gz LQEVFYOOORJLOS-OLZOCXBDSA-N 1 0 296.436 1.822 20 70 CDIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cnn1-c1ccccc1 ZINC000160312950 377056929 /nfs/dbraw/zinc/05/69/29/377056929.db2.gz LQZLBAUVFDKKJO-AWEZNQCLSA-N 1 0 284.363 1.744 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000160475899 377069632 /nfs/dbraw/zinc/06/96/32/377069632.db2.gz MEXDUQMEWVLFRT-CQSZACIVSA-N 1 0 277.412 1.923 20 70 CDIDRO COCCC1(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000161214168 533180218 /nfs/dbraw/zinc/18/02/18/533180218.db2.gz RUHUDJKPTQQXBO-UHFFFAOYSA-N 1 0 268.401 1.651 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000159467627 390939923 /nfs/dbraw/zinc/93/99/23/390939923.db2.gz OJIOXEZIZLBFMV-STQMWFEESA-N 1 0 276.380 1.272 20 70 CDIDRO COc1cccc(F)c1[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000161051090 533569585 /nfs/dbraw/zinc/56/95/85/533569585.db2.gz YWLFIDQSFDTBCB-VIFPVBQESA-N 1 0 268.332 1.996 20 70 CDIDRO C[C@H](c1ccccc1)N(CC(N)=O)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161478454 139912554 /nfs/dbraw/zinc/91/25/54/139912554.db2.gz HEWCLDBECAYCIL-OCCSQVGLSA-N 1 0 289.379 1.204 20 70 CDIDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C)s1 ZINC000216735163 140162969 /nfs/dbraw/zinc/16/29/69/140162969.db2.gz JKMQCYTYHJLCTP-SECBINFHSA-N 1 0 274.411 1.381 20 70 CDIDRO CCCC[N@H+](CCO)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000217620725 140165669 /nfs/dbraw/zinc/16/56/69/140165669.db2.gz NAGOYXKMXQCSIY-ZIAGYGMSSA-N 1 0 270.417 1.585 20 70 CDIDRO COC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000161069144 292098412 /nfs/dbraw/zinc/09/84/12/292098412.db2.gz QNDIBUDXSQYENS-KBPBESRZSA-N 1 0 280.412 1.840 20 70 CDIDRO CC[C@@H](C(=O)NC[C@H](O)c1ccccc1)[NH+](C)C ZINC000160041215 273712970 /nfs/dbraw/zinc/71/29/70/273712970.db2.gz RMBUYINMDCHDOG-STQMWFEESA-N 1 0 250.342 1.176 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2cc(C)oc2C)[C@@H](C[NH3+])C1 ZINC000161051447 277653549 /nfs/dbraw/zinc/65/35/49/277653549.db2.gz XMIDMSHSGCVZOR-VXGBXAGGSA-N 1 0 266.341 1.475 20 70 CDIDRO O=C([C@H]1CCCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000161186678 292801789 /nfs/dbraw/zinc/80/17/89/292801789.db2.gz GMRJUWJDTGXAIB-CQSZACIVSA-N 1 0 266.385 1.642 20 70 CDIDRO C[C@H](OCC1CC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159802227 482751410 /nfs/dbraw/zinc/75/14/10/482751410.db2.gz XPTUGTVMBSXLRO-LBPRGKRZSA-N 1 0 280.412 1.792 20 70 CDIDRO C[C@H](O)C[C@H](C)CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000160573171 482812312 /nfs/dbraw/zinc/81/23/12/482812312.db2.gz GMFBQLRJVMFAIQ-OUJBWJOFSA-N 1 0 284.787 1.863 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000160884184 482836415 /nfs/dbraw/zinc/83/64/15/482836415.db2.gz RJIIBMYHIMXHHI-RYUDHWBXSA-N 1 0 268.307 1.893 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2cccs2)C1 ZINC000160918192 482840785 /nfs/dbraw/zinc/84/07/85/482840785.db2.gz PHUXRTOYWLFXBP-GHMZBOCLSA-N 1 0 295.408 1.254 20 70 CDIDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160923136 482841057 /nfs/dbraw/zinc/84/10/57/482841057.db2.gz VPKYGVDVLUWWJZ-CMPLNLGQSA-N 1 0 291.351 1.020 20 70 CDIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000160989898 482849781 /nfs/dbraw/zinc/84/97/81/482849781.db2.gz MOOQOVKHOFBDCU-VOAKCMCISA-N 1 0 266.385 1.578 20 70 CDIDRO CCC(CC)N1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161090374 482859715 /nfs/dbraw/zinc/85/97/15/482859715.db2.gz YHOFYMRFLKEUEM-AGIUHOORSA-N 1 0 295.427 1.410 20 70 CDIDRO COc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1OC ZINC000161396829 482875960 /nfs/dbraw/zinc/87/59/60/482875960.db2.gz SJBAVQSFIAHCCN-MNOVXSKESA-N 1 0 278.352 1.704 20 70 CDIDRO CC(C)CC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000161337746 519591739 /nfs/dbraw/zinc/59/17/39/519591739.db2.gz DUFWHEOLUDWKPO-CYBMUJFWSA-N 1 0 295.427 1.139 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)c1cnc2c(c1)ncn2C ZINC000160946010 519646261 /nfs/dbraw/zinc/64/62/61/519646261.db2.gz DYTJKDGUWXFMGX-UHFFFAOYSA-N 1 0 289.383 1.381 20 70 CDIDRO CCC[N@@H+]1CCCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000160393421 519849247 /nfs/dbraw/zinc/84/92/47/519849247.db2.gz UOOMXGXQEJXZAK-UHFFFAOYSA-N 1 0 275.396 1.877 20 70 CDIDRO CC(C)c1noc2ncc(C(=O)N3CC[NH2+]CC3)cc21 ZINC000159428963 519911582 /nfs/dbraw/zinc/91/15/82/519911582.db2.gz VLMOJALKYUSDCH-UHFFFAOYSA-N 1 0 274.324 1.392 20 70 CDIDRO CCCC[C@H](COC)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160468444 521200693 /nfs/dbraw/zinc/20/06/93/521200693.db2.gz OLJAKBSIVIJMIH-QWHCGFSZSA-N 1 0 266.389 1.696 20 70 CDIDRO C[NH2+]CCC1CCN(c2cnn(C)c(=O)c2Cl)CC1 ZINC000159534243 521985280 /nfs/dbraw/zinc/98/52/80/521985280.db2.gz PQHXJUSOGMLJSN-UHFFFAOYSA-N 1 0 284.791 1.260 20 70 CDIDRO COC1(C(=O)N2CCC(C(C)C)CC2)CC[NH2+]CC1 ZINC000161270795 522539008 /nfs/dbraw/zinc/53/90/08/522539008.db2.gz AQXGTEYMYWDVDM-UHFFFAOYSA-N 1 0 268.401 1.650 20 70 CDIDRO C[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000161399596 524504492 /nfs/dbraw/zinc/50/44/92/524504492.db2.gz VAFKTWHKRVALFR-CJNGLKHVSA-N 1 0 280.387 1.960 20 70 CDIDRO C[C@H](CO)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000160443847 524539042 /nfs/dbraw/zinc/53/90/42/524539042.db2.gz XHNIEAYKMNBLBF-LLVKDONJSA-N 1 0 250.342 1.201 20 70 CDIDRO CCCCO[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159715671 528629881 /nfs/dbraw/zinc/62/98/81/528629881.db2.gz LDYNTIGXJRFMFF-LBPRGKRZSA-N 1 0 256.390 1.969 20 70 CDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000160541555 528945226 /nfs/dbraw/zinc/94/52/26/528945226.db2.gz APFKSCMFVWUFFD-LBPRGKRZSA-N 1 0 297.443 1.705 20 70 CDIDRO C[N@H+](C[C@H](O)C1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000160751019 538849601 /nfs/dbraw/zinc/84/96/01/538849601.db2.gz SVSWGDBHRSUHHX-CABCVRRESA-N 1 0 274.364 1.495 20 70 CDIDRO COCC[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159826260 361875586 /nfs/dbraw/zinc/87/55/86/361875586.db2.gz RYVHOMPYGAOGMR-HNNXBMFYSA-N 1 0 276.380 1.360 20 70 CDIDRO CC[C@@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)[NH+](C)C ZINC000159833173 539114762 /nfs/dbraw/zinc/11/47/62/539114762.db2.gz DSTRNGCJPKIAFN-JTQLQIEISA-N 1 0 271.748 1.317 20 70 CDIDRO [NH3+]CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000217139091 342439407 /nfs/dbraw/zinc/43/94/07/342439407.db2.gz AFZGSSCSBGNNOL-UHFFFAOYSA-N 1 0 265.332 1.435 20 70 CDIDRO CC[C@H]1CCCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159371779 362316455 /nfs/dbraw/zinc/31/64/55/362316455.db2.gz QAFVEMYRLPFZAF-UONOGXRCSA-N 1 0 268.401 1.936 20 70 CDIDRO COC[C@H]([NH3+])C(=O)NCCCn1ccc2ccccc21 ZINC000159417029 362319952 /nfs/dbraw/zinc/31/99/52/362319952.db2.gz ZAIREYFGMGKXSH-ZDUSSCGKSA-N 1 0 275.352 1.121 20 70 CDIDRO COc1ccc(OC)c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159881378 362377899 /nfs/dbraw/zinc/37/78/99/362377899.db2.gz BWRYRGNHFPTRBH-ZDUSSCGKSA-N 1 0 278.352 1.513 20 70 CDIDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000159923169 362380286 /nfs/dbraw/zinc/38/02/86/362380286.db2.gz OPLLJANVHCFHLC-OAHLLOKOSA-N 1 0 294.420 1.533 20 70 CDIDRO CCc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160049397 362389420 /nfs/dbraw/zinc/38/94/20/362389420.db2.gz HIBOHBUIFXZLRP-HNNXBMFYSA-N 1 0 275.396 1.857 20 70 CDIDRO COc1cccc(CCNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000161345571 362789476 /nfs/dbraw/zinc/78/94/76/362789476.db2.gz KEPFUWBCFAOSHA-MRXNPFEDSA-N 1 0 276.380 1.744 20 70 CDIDRO CC1(O)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000161234199 362873091 /nfs/dbraw/zinc/87/30/91/362873091.db2.gz VGCFFNDWNQPLMS-HNNXBMFYSA-N 1 0 279.380 1.411 20 70 CDIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(C2CC2)CCC1 ZINC000159713100 363220629 /nfs/dbraw/zinc/22/06/29/363220629.db2.gz VIJAKHGHFHOJQX-CYBMUJFWSA-N 1 0 265.401 1.960 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000160486336 188476887 /nfs/dbraw/zinc/47/68/87/188476887.db2.gz MMMFEKSDLXGNHX-GFCCVEGCSA-N 1 0 288.326 1.445 20 70 CDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000161221951 188515733 /nfs/dbraw/zinc/51/57/33/188515733.db2.gz LCZSPTBFVUINDW-NRXISQOPSA-N 1 0 293.411 1.919 20 70 CDIDRO OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000159858684 359278263 /nfs/dbraw/zinc/27/82/63/359278263.db2.gz LNXCZCPPMZHPKT-CHWSQXEVSA-N 1 0 299.798 1.927 20 70 CDIDRO COCCCOC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000159790630 237158155 /nfs/dbraw/zinc/15/81/55/237158155.db2.gz UUVNNHQOHXFRNX-UHFFFAOYSA-N 1 0 298.427 1.550 20 70 CDIDRO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H](C)O ZINC000159516819 361725600 /nfs/dbraw/zinc/72/56/00/361725600.db2.gz DJNOCJBNLMWFRG-ZYHUDNBSSA-N 1 0 283.372 1.793 20 70 CDIDRO C[C@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537278 361731432 /nfs/dbraw/zinc/73/14/32/361731432.db2.gz LNNOFFSTWRFZCP-LBPRGKRZSA-N 1 0 292.379 1.346 20 70 CDIDRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH2+]CC1 ZINC000159454668 364209430 /nfs/dbraw/zinc/20/94/30/364209430.db2.gz DSEUIENEIKXLFG-GHMZBOCLSA-N 1 0 266.291 1.500 20 70 CDIDRO COCCC[N@H+](C)CCNC(=O)c1cccc2[nH]cnc21 ZINC000159685327 364251109 /nfs/dbraw/zinc/25/11/09/364251109.db2.gz ZNFUDSALWBJGER-UHFFFAOYSA-N 1 0 290.367 1.261 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000160583369 364377030 /nfs/dbraw/zinc/37/70/30/364377030.db2.gz BBMOXIJMYNEZTQ-CYBMUJFWSA-N 1 0 264.344 1.924 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)C1 ZINC000160615273 364383232 /nfs/dbraw/zinc/38/32/32/364383232.db2.gz TZVVILGGFSBJBT-GFCCVEGCSA-N 1 0 289.335 1.077 20 70 CDIDRO CCn1nc(C)c(C(=O)N2CC[C@H]([NH2+]C)C2)c1Cl ZINC000160810996 364413286 /nfs/dbraw/zinc/41/32/86/364413286.db2.gz RFHPNBQDRHRXBJ-VIFPVBQESA-N 1 0 270.764 1.299 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncc2ccccc21 ZINC000161172389 364457597 /nfs/dbraw/zinc/45/75/97/364457597.db2.gz AJGZYDYRFJQXSB-CYBMUJFWSA-N 1 0 272.352 1.247 20 70 CDIDRO COc1cc(F)c(C(=O)N2CCC[N@H+](C)CC2)cc1OC ZINC000161269581 364472273 /nfs/dbraw/zinc/47/22/73/364472273.db2.gz NCHYDOKBAMZBEB-UHFFFAOYSA-N 1 0 296.342 1.621 20 70 CDIDRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C[NH2+]CC1CC1 ZINC000161468688 375429491 /nfs/dbraw/zinc/42/94/91/375429491.db2.gz NPZRXAABEDGYTG-HXUWFJFHSA-N 1 0 294.420 1.382 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CC=CCC1 ZINC000160546627 377084143 /nfs/dbraw/zinc/08/41/43/377084143.db2.gz FHHPTEFPVZRVKD-AWEZNQCLSA-N 1 0 266.385 1.163 20 70 CDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160654515 377098893 /nfs/dbraw/zinc/09/88/93/377098893.db2.gz FAWBCQUJASRVMO-SNVBAGLBSA-N 1 0 286.397 1.016 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000160692546 377101482 /nfs/dbraw/zinc/10/14/82/377101482.db2.gz DDUNTZNHGYASDS-UHFFFAOYSA-N 1 0 298.333 1.399 20 70 CDIDRO CCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159420040 390939917 /nfs/dbraw/zinc/93/99/17/390939917.db2.gz OXNMXMPIRCBCGV-ZDUSSCGKSA-N 1 0 253.390 1.201 20 70 CDIDRO Cc1ccc(CNC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000160141081 139909228 /nfs/dbraw/zinc/90/92/28/139909228.db2.gz FUQVFAUDOGFACW-HNNXBMFYSA-N 1 0 293.386 1.419 20 70 CDIDRO O[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000217370061 140162797 /nfs/dbraw/zinc/16/27/97/140162797.db2.gz IWPKDOIXNCYCBQ-HZPDHXFCSA-N 1 0 260.381 1.890 20 70 CDIDRO CCc1ncnc(NCC2CC[NH+](C)CC2)c1F ZINC000218001282 140165604 /nfs/dbraw/zinc/16/56/04/140165604.db2.gz HKBJLRDISJEJIT-UHFFFAOYSA-N 1 0 252.337 1.932 20 70 CDIDRO C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000217839856 140165675 /nfs/dbraw/zinc/16/56/75/140165675.db2.gz NMCKFVRELAXFRC-TZMCWYRMSA-N 1 0 297.424 1.395 20 70 CDIDRO CC(C)Oc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000216787115 413084574 /nfs/dbraw/zinc/08/45/74/413084574.db2.gz KEHLOSFVMQRHJH-GFCCVEGCSA-N 1 0 262.353 1.908 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161095416 274501835 /nfs/dbraw/zinc/50/18/35/274501835.db2.gz JFNJVOBFRSCYKY-MWODSPESSA-N 1 0 250.317 1.913 20 70 CDIDRO C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161401568 275396642 /nfs/dbraw/zinc/39/66/42/275396642.db2.gz XGMNVNXXHCMOJW-OLZOCXBDSA-N 1 0 276.384 1.583 20 70 CDIDRO C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1)N(C)C1CC1 ZINC000218645943 280091040 /nfs/dbraw/zinc/09/10/40/280091040.db2.gz FBHNXMUFLOAGDZ-YOEHRIQHSA-N 1 0 292.423 1.636 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159728176 292766747 /nfs/dbraw/zinc/76/67/47/292766747.db2.gz ZKHWDGYTIXWQEX-CYBMUJFWSA-N 1 0 285.432 1.831 20 70 CDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC1CCOCC1 ZINC000159727069 292767023 /nfs/dbraw/zinc/76/70/23/292767023.db2.gz BUBBZBSILTVOGF-AWEZNQCLSA-N 1 0 297.443 1.929 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000160658637 482817748 /nfs/dbraw/zinc/81/77/48/482817748.db2.gz RZNLNADDCYFCKU-NSHDSACASA-N 1 0 274.320 1.875 20 70 CDIDRO COc1cccc(C[NH2+]CCNC(=O)C2CC2)c1F ZINC000160753108 482821704 /nfs/dbraw/zinc/82/17/04/482821704.db2.gz KKSXNIVODCXEDL-UHFFFAOYSA-N 1 0 266.316 1.450 20 70 CDIDRO COC(C)(C)C[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000160967113 482846978 /nfs/dbraw/zinc/84/69/78/482846978.db2.gz LOXHMJFXCSUKCB-VIFPVBQESA-N 1 0 254.330 1.672 20 70 CDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cncc(Br)c2)C1 ZINC000161005904 482851252 /nfs/dbraw/zinc/85/12/52/482851252.db2.gz JLHYWCPJAPECRO-WDEREUQCSA-N 1 0 298.184 1.844 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COCCc2ccccc2)C1 ZINC000161272573 482872409 /nfs/dbraw/zinc/87/24/09/482872409.db2.gz SPTKLFHMSUBHAD-GJZGRUSLSA-N 1 0 276.380 1.632 20 70 CDIDRO CCc1nnsc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161347580 482874826 /nfs/dbraw/zinc/87/48/26/482874826.db2.gz LVJVIAVJZXDVPJ-SFYZADRCSA-N 1 0 254.359 1.100 20 70 CDIDRO CNC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161444595 482877934 /nfs/dbraw/zinc/87/79/34/482877934.db2.gz COQNXVXCXZVEPA-OLZOCXBDSA-N 1 0 275.352 1.046 20 70 CDIDRO CC[C@H](C)[C@H](O)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161473055 521996529 /nfs/dbraw/zinc/99/65/29/521996529.db2.gz KEQUDCGCPDREJT-KWCMIHLGSA-N 1 0 256.390 1.430 20 70 CDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000160128584 534756323 /nfs/dbraw/zinc/75/63/23/534756323.db2.gz JEIFHMZCCGQDEI-LLVKDONJSA-N 1 0 296.371 1.014 20 70 CDIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H]1CCOC1 ZINC000161142005 525348054 /nfs/dbraw/zinc/34/80/54/525348054.db2.gz FNERKDQNSQLUKI-KBPBESRZSA-N 1 0 292.427 1.952 20 70 CDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)CC2 ZINC000160530776 527198846 /nfs/dbraw/zinc/19/88/46/527198846.db2.gz LAUPNSJKGPSBHG-VXGBXAGGSA-N 1 0 278.400 1.837 20 70 CDIDRO CC(C)c1nccn1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160294014 528368897 /nfs/dbraw/zinc/36/88/97/528368897.db2.gz UUEYPDSGLCESKB-LBPRGKRZSA-N 1 0 264.373 1.346 20 70 CDIDRO CCCC[C@@H](COC)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160468317 398185348 /nfs/dbraw/zinc/18/53/48/398185348.db2.gz OLJAKBSIVIJMIH-STQMWFEESA-N 1 0 266.389 1.696 20 70 CDIDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159563063 361737645 /nfs/dbraw/zinc/73/76/45/361737645.db2.gz RLPLQPOWPBDQIQ-RDBSUJKOSA-N 1 0 278.396 1.873 20 70 CDIDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000159873961 361893365 /nfs/dbraw/zinc/89/33/65/361893365.db2.gz FVLDPZZYUMJLSI-CQSZACIVSA-N 1 0 268.401 1.651 20 70 CDIDRO Cn1ccnc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161363255 539117677 /nfs/dbraw/zinc/11/76/77/539117677.db2.gz FKYJYFFXRVXJJH-UHFFFAOYSA-N 1 0 257.341 1.137 20 70 CDIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160208774 362054864 /nfs/dbraw/zinc/05/48/64/362054864.db2.gz VFBDCDVRMFXKEM-ZDUSSCGKSA-N 1 0 299.415 1.454 20 70 CDIDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160214088 362057860 /nfs/dbraw/zinc/05/78/60/362057860.db2.gz NJWJWDYFHZJSTK-OAHLLOKOSA-N 1 0 282.428 1.897 20 70 CDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C1(CCOC)CC1 ZINC000161469592 529687947 /nfs/dbraw/zinc/68/79/47/529687947.db2.gz SNFKQCJPZSATBB-LBPRGKRZSA-N 1 0 256.390 1.650 20 70 CDIDRO O=C(c1cc2ccccc2oc1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159401550 362318594 /nfs/dbraw/zinc/31/85/94/362318594.db2.gz ACUMTIGSOFMSCH-KRWDZBQOSA-N 1 0 298.342 1.619 20 70 CDIDRO O[C@@H](COCc1ccccc1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159465748 362325586 /nfs/dbraw/zinc/32/55/86/362325586.db2.gz ULOPRYVGTXCZBY-IAGOWNOFSA-N 1 0 290.407 1.344 20 70 CDIDRO [NH3+]C1(CNC(=O)CCc2ccccn2)CCCCC1 ZINC000159761922 362366969 /nfs/dbraw/zinc/36/69/69/362366969.db2.gz WZODHUFAXCVOBT-UHFFFAOYSA-N 1 0 261.369 1.792 20 70 CDIDRO C[NH2+]C[C@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981184 362385210 /nfs/dbraw/zinc/38/52/10/362385210.db2.gz RNESNEHAYHSJQU-LLVKDONJSA-N 1 0 278.352 1.465 20 70 CDIDRO COc1cc(C[NH2+]C[C@]2(OC)CCOC2)cc(OC)c1O ZINC000160109139 362395732 /nfs/dbraw/zinc/39/57/32/362395732.db2.gz YDARPAPJKOMGII-OAHLLOKOSA-N 1 0 297.351 1.305 20 70 CDIDRO C[NH+](C)[C@H](CNC(=O)c1cc[nH]c(=O)c1)Cc1ccccc1 ZINC000159629895 363086570 /nfs/dbraw/zinc/08/65/70/363086570.db2.gz LHSGMJIITIDLHR-HNNXBMFYSA-N 1 0 299.374 1.278 20 70 CDIDRO C[NH2+]CC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160476597 188475368 /nfs/dbraw/zinc/47/53/68/188475368.db2.gz CHCQPCMTDKNHCW-JTQLQIEISA-N 1 0 259.309 1.738 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)c2cncnc2C)CC1 ZINC000161074962 188507151 /nfs/dbraw/zinc/50/71/51/188507151.db2.gz IRLWHUJSHNVTKZ-UHFFFAOYSA-N 1 0 262.357 1.247 20 70 CDIDRO COCC[NH+]1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000160046481 363620727 /nfs/dbraw/zinc/62/07/27/363620727.db2.gz RIEWKIVAGOQNPZ-UHFFFAOYSA-N 1 0 269.389 1.339 20 70 CDIDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1C(C)(C)C ZINC000159480958 360086981 /nfs/dbraw/zinc/08/69/81/360086981.db2.gz VEHMZWHCGDQJBC-BETUJISGSA-N 1 0 290.411 1.913 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CCc2ccccc2Br)C1 ZINC000160297174 361385833 /nfs/dbraw/zinc/38/58/33/361385833.db2.gz GRSQYQMFXRAUOL-LLVKDONJSA-N 1 0 297.196 1.941 20 70 CDIDRO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159462610 361714573 /nfs/dbraw/zinc/71/45/73/361714573.db2.gz WKMRKPUGFYXAHM-NEPJUHHUSA-N 1 0 250.342 1.635 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000159519047 361726454 /nfs/dbraw/zinc/72/64/54/361726454.db2.gz FXGWEUMEOJFHDM-UHFFFAOYSA-N 1 0 298.475 1.842 20 70 CDIDRO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cc1 ZINC000159560373 361730035 /nfs/dbraw/zinc/73/00/35/361730035.db2.gz VQGPJGIIWCQJFI-OLZOCXBDSA-N 1 0 264.369 1.312 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160645285 364118119 /nfs/dbraw/zinc/11/81/19/364118119.db2.gz DESGUIAFMSTAQQ-CABCVRRESA-N 1 0 295.427 1.681 20 70 CDIDRO CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)c1ccccc1 ZINC000159387016 364197122 /nfs/dbraw/zinc/19/71/22/364197122.db2.gz SSJNERFRKYNBMR-CHWSQXEVSA-N 1 0 264.369 1.741 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000159425353 364204530 /nfs/dbraw/zinc/20/45/30/364204530.db2.gz BDGACABCVKBZPY-MCIONIFRSA-N 1 0 278.396 1.607 20 70 CDIDRO CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)[NH+](C)C ZINC000159701052 364254991 /nfs/dbraw/zinc/25/49/91/364254991.db2.gz QDJATPXHRWLFBE-AWEZNQCLSA-N 1 0 289.379 1.593 20 70 CDIDRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@H]1CCC[C@@H]1O ZINC000159831328 364272158 /nfs/dbraw/zinc/27/21/58/364272158.db2.gz BOHOHTXZYFDEQX-PWSUYJOCSA-N 1 0 293.392 1.349 20 70 CDIDRO COCCN(CCC(=O)c1ccc(C)cc1)[C@H](C)C(N)=O ZINC000159508423 364224171 /nfs/dbraw/zinc/22/41/71/364224171.db2.gz VLXRVXAAAHVINL-CYBMUJFWSA-N 1 0 292.379 1.390 20 70 CDIDRO CCOc1cc(N2CCC[C@H]2CN2CCOCC2)ncn1 ZINC000160386179 364344212 /nfs/dbraw/zinc/34/42/12/364344212.db2.gz RZDISIFYRKPKRG-ZDUSSCGKSA-N 1 0 292.383 1.176 20 70 CDIDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1 ZINC000159892838 364278045 /nfs/dbraw/zinc/27/80/45/364278045.db2.gz CFDMQBHXOHCIRW-WCQYABFASA-N 1 0 275.352 1.272 20 70 CDIDRO Cc1c(C(=O)NCCC[NH3+])cnn1-c1ccc(F)cc1 ZINC000160049162 364299343 /nfs/dbraw/zinc/29/93/43/364299343.db2.gz RJUIMHGSXXHMHB-UHFFFAOYSA-N 1 0 276.315 1.398 20 70 CDIDRO CCc1ccc(C(=O)CCC(=O)NCCC[NH3+])cc1 ZINC000160053986 364299960 /nfs/dbraw/zinc/29/99/60/364299960.db2.gz ZTGHXTHWNCXCQZ-UHFFFAOYSA-N 1 0 262.353 1.677 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC000160548879 364372253 /nfs/dbraw/zinc/37/22/53/364372253.db2.gz AWUCZYFPRMAXDA-AWEZNQCLSA-N 1 0 262.353 1.414 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000160779591 364407575 /nfs/dbraw/zinc/40/75/75/364407575.db2.gz OXTRNNVKZHJURS-CYBMUJFWSA-N 1 0 260.337 1.470 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000161226578 367697224 /nfs/dbraw/zinc/69/72/24/367697224.db2.gz FUMGBBNXNIPGQD-LBPRGKRZSA-N 1 0 291.395 1.895 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@@H]2COc3ccccc32)CCOC1 ZINC000160303637 373798492 /nfs/dbraw/zinc/79/84/92/373798492.db2.gz DFGMNTMBZQWCAZ-DOMZBBRYSA-N 1 0 263.337 1.558 20 70 CDIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161511139 375652549 /nfs/dbraw/zinc/65/25/49/375652549.db2.gz VUATXDIEBLPFPF-SNPRPXQTSA-N 1 0 276.380 1.757 20 70 CDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccncc2)C1 ZINC000161292243 377562886 /nfs/dbraw/zinc/56/28/86/377562886.db2.gz WYOGTSKOCGUTTG-GRJAPKLVSA-N 1 0 273.380 1.940 20 70 CDIDRO CCc1noc(CC)c1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160183706 377867836 /nfs/dbraw/zinc/86/78/36/377867836.db2.gz NAQRGFWCOSUPAU-JTQLQIEISA-N 1 0 265.357 1.292 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000159547232 390940140 /nfs/dbraw/zinc/94/01/40/390940140.db2.gz AWFBTLWBDXJFDC-RYUDHWBXSA-N 1 0 294.420 1.826 20 70 CDIDRO CC(C)Oc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000216786121 413086807 /nfs/dbraw/zinc/08/68/07/413086807.db2.gz RUNDUZRWSPGNHX-LBPRGKRZSA-N 1 0 262.353 1.908 20 70 CDIDRO O=C(NCCN1CC[NH2+]CC1)NCc1ccccc1Cl ZINC000217314107 260106772 /nfs/dbraw/zinc/10/67/72/260106772.db2.gz YPDQXQJPGPTEJT-UHFFFAOYSA-N 1 0 296.802 1.044 20 70 CDIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000161163524 264272061 /nfs/dbraw/zinc/27/20/61/264272061.db2.gz JETUJICRVXNHHM-NWDGAFQWSA-N 1 0 280.343 1.851 20 70 CDIDRO [NH3+]CCC(=O)N1CCc2ccc(Br)cc21 ZINC000159991456 274944928 /nfs/dbraw/zinc/94/49/28/274944928.db2.gz UZTCFGWPEPZOQS-UHFFFAOYSA-N 1 0 269.142 1.687 20 70 CDIDRO O=C([C@H]1OCCc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160163983 280154745 /nfs/dbraw/zinc/15/47/45/280154745.db2.gz CGXJCIOJIOHCAK-LZWOXQAQSA-N 1 0 286.375 1.653 20 70 CDIDRO CN(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccn1 ZINC000159392047 292757830 /nfs/dbraw/zinc/75/78/30/292757830.db2.gz MEEKCXYSAGDDHU-BETUJISGSA-N 1 0 274.368 1.114 20 70 CDIDRO C[NH+]1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159571263 292761615 /nfs/dbraw/zinc/76/16/15/292761615.db2.gz ZLTLXSAMCGEDTD-UHFFFAOYSA-N 1 0 251.374 1.570 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000218115734 329468219 /nfs/dbraw/zinc/46/82/19/329468219.db2.gz FMAXRTLXHPOXPW-CQSZACIVSA-N 1 0 294.395 1.111 20 70 CDIDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC(C)(C)CO)c1 ZINC000160162689 482787588 /nfs/dbraw/zinc/78/75/88/482787588.db2.gz NURPMJBFEXJDEL-CQSZACIVSA-N 1 0 281.396 1.651 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC000161015406 482853314 /nfs/dbraw/zinc/85/33/14/482853314.db2.gz ZWMIGRRTMHMFBZ-VXGBXAGGSA-N 1 0 292.383 1.656 20 70 CDIDRO COc1cccc(O[C@@H](C)CNC(=O)CC2([NH3+])CCC2)c1 ZINC000161132839 482862886 /nfs/dbraw/zinc/86/28/86/482862886.db2.gz HINQHFGZWVJOJK-LBPRGKRZSA-N 1 0 292.379 1.850 20 70 CDIDRO CCc1nnsc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161347307 482874591 /nfs/dbraw/zinc/87/45/91/482874591.db2.gz LVJVIAVJZXDVPJ-YUMQZZPRSA-N 1 0 254.359 1.100 20 70 CDIDRO CCCCO[C@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160586792 520836253 /nfs/dbraw/zinc/83/62/53/520836253.db2.gz CVFQOENZLMQRMW-CYBMUJFWSA-N 1 0 286.416 1.012 20 70 CDIDRO CCOCCC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC000160879289 521689365 /nfs/dbraw/zinc/68/93/65/521689365.db2.gz WJYHGMRDNHFSKH-CYBMUJFWSA-N 1 0 268.401 1.794 20 70 CDIDRO COC(C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1)OC ZINC000160625258 522531350 /nfs/dbraw/zinc/53/13/50/522531350.db2.gz IQKCSSBEGAMEJK-UHFFFAOYSA-N 1 0 298.427 1.576 20 70 CDIDRO COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160434276 523586515 /nfs/dbraw/zinc/58/65/15/523586515.db2.gz SVQFWSXNWBHMIV-KBPBESRZSA-N 1 0 270.417 1.897 20 70 CDIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160334313 526479488 /nfs/dbraw/zinc/47/94/88/526479488.db2.gz FNZXVDFMTGRSMH-LBPRGKRZSA-N 1 0 275.352 1.750 20 70 CDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1cscn1 ZINC000159765899 528894549 /nfs/dbraw/zinc/89/45/49/528894549.db2.gz XNPFTOKTMALHGV-UHFFFAOYSA-N 1 0 284.429 1.667 20 70 CDIDRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000161054472 361750722 /nfs/dbraw/zinc/75/07/22/361750722.db2.gz CWRNMNSJDJKKEK-NXEZZACHSA-N 1 0 266.316 1.621 20 70 CDIDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614162 361752323 /nfs/dbraw/zinc/75/23/23/361752323.db2.gz FFEOSUDHKRDAIZ-JGVFFNPUSA-N 1 0 294.742 1.914 20 70 CDIDRO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159647378 361761194 /nfs/dbraw/zinc/76/11/94/361761194.db2.gz SIEGJGKFGDRCHQ-QWRGUYRKSA-N 1 0 253.346 1.097 20 70 CDIDRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159664489 361765028 /nfs/dbraw/zinc/76/50/28/361765028.db2.gz BTVJBCRPYNHECW-CABCVRRESA-N 1 0 295.427 1.585 20 70 CDIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000159896103 361901296 /nfs/dbraw/zinc/90/12/96/361901296.db2.gz KBQAMUPWWHNIDA-FPMFFAJLSA-N 1 0 259.353 1.538 20 70 CDIDRO Cc1ccc(F)c(OCC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000159913100 361930820 /nfs/dbraw/zinc/93/08/20/361930820.db2.gz VGAMLVYJDDKOJK-UHFFFAOYSA-N 1 0 294.370 1.971 20 70 CDIDRO C[C@]([NH2+]CCOCC1CC1)(C(N)=O)c1ccccc1 ZINC000159929478 361949875 /nfs/dbraw/zinc/94/98/75/361949875.db2.gz GDZNZMQCRGCJPY-OAHLLOKOSA-N 1 0 262.353 1.403 20 70 CDIDRO COc1cccc([C@H](C)C(=O)NCC(C)(C)[NH3+])c1 ZINC000159964253 361976429 /nfs/dbraw/zinc/97/64/29/361976429.db2.gz POVKWDSKFUXXIS-JTQLQIEISA-N 1 0 250.342 1.652 20 70 CDIDRO CCC(CC)N1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C)CC1=O ZINC000161220479 282187299 /nfs/dbraw/zinc/18/72/99/282187299.db2.gz AMSUHWMDWLVBTA-GXTWGEPZSA-N 1 0 295.427 1.234 20 70 CDIDRO Cc1cc2ncc([C@H](C)[NH2+]CCc3cnn(C)c3)c(C)n2n1 ZINC000159762222 362366908 /nfs/dbraw/zinc/36/69/08/362366908.db2.gz VIZVLLUJFXUFPH-LBPRGKRZSA-N 1 0 298.394 1.973 20 70 CDIDRO CN(Cc1nc(-c2cccs2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160016923 362387155 /nfs/dbraw/zinc/38/71/55/362387155.db2.gz GFBZZUJNAHNDFB-JTQLQIEISA-N 1 0 278.381 1.967 20 70 CDIDRO CN(CCC[NH+]1CCCCC1)CCN1CCOCC1 ZINC000160891862 362534890 /nfs/dbraw/zinc/53/48/90/362534890.db2.gz AGNOXIDXCXKSMJ-UHFFFAOYSA-N 1 0 269.433 1.126 20 70 CDIDRO C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160640735 346184295 /nfs/dbraw/zinc/18/42/95/346184295.db2.gz IBVMNXRMQAOROE-OCCSQVGLSA-N 1 0 265.401 1.912 20 70 CDIDRO Cc1cc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)[nH]1 ZINC000159582049 363016743 /nfs/dbraw/zinc/01/67/43/363016743.db2.gz ZHWSVMDUCXERQQ-UHFFFAOYSA-N 1 0 251.374 1.949 20 70 CDIDRO COC(=O)N1CCC[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159721089 363226260 /nfs/dbraw/zinc/22/62/60/363226260.db2.gz ZJDZAHINTMXBCD-LBPRGKRZSA-N 1 0 297.399 1.243 20 70 CDIDRO COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160214048 188460603 /nfs/dbraw/zinc/46/06/03/188460603.db2.gz XZNZTPKFWYCXPO-NWDGAFQWSA-N 1 0 262.353 1.748 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000160773392 188490605 /nfs/dbraw/zinc/49/06/05/188490605.db2.gz DULYKGZZTYVYQX-CQSZACIVSA-N 1 0 287.363 1.469 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159867961 363386402 /nfs/dbraw/zinc/38/64/02/363386402.db2.gz FOJBQSNBHDZSBY-VHSXEESVSA-N 1 0 259.419 1.520 20 70 CDIDRO CC[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160909092 358778654 /nfs/dbraw/zinc/77/86/54/358778654.db2.gz CBQUBDPNIDHDAM-UONOGXRCSA-N 1 0 285.432 1.567 20 70 CDIDRO [NH3+]CCCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000160089916 237164982 /nfs/dbraw/zinc/16/49/82/237164982.db2.gz CTFRUDPQXJBCBV-UHFFFAOYSA-N 1 0 286.335 1.693 20 70 CDIDRO C[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160966197 360215093 /nfs/dbraw/zinc/21/50/93/360215093.db2.gz DAMVGVJZAPECPS-WKEGUHRASA-N 1 0 277.151 1.490 20 70 CDIDRO C[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035150 360308352 /nfs/dbraw/zinc/30/83/52/360308352.db2.gz WVQUYYIBRTXFOY-NSHDSACASA-N 1 0 278.352 1.778 20 70 CDIDRO CCC[C@@](C)(CO)NC(=O)Cc1cn2ccccc2n1 ZINC000159556527 361728799 /nfs/dbraw/zinc/72/87/99/361728799.db2.gz DLHBTJLPDVGJBN-HNNXBMFYSA-N 1 0 275.352 1.544 20 70 CDIDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cn1 ZINC000159449864 364207983 /nfs/dbraw/zinc/20/79/83/364207983.db2.gz SLRIPKYCKWNBAS-OLZOCXBDSA-N 1 0 250.342 1.683 20 70 CDIDRO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH2+]CC1 ZINC000159454263 364209600 /nfs/dbraw/zinc/20/96/00/364209600.db2.gz DSEUIENEIKXLFG-QWRGUYRKSA-N 1 0 266.291 1.500 20 70 CDIDRO C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745748 364260964 /nfs/dbraw/zinc/26/09/64/364260964.db2.gz HCZHZWYXDHZXTF-BXKDBHETSA-N 1 0 295.770 1.251 20 70 CDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000160284193 364329023 /nfs/dbraw/zinc/32/90/23/364329023.db2.gz HJEQLKRQXWCYRG-GFCCVEGCSA-N 1 0 298.333 1.541 20 70 CDIDRO C[C@H]1Sc2ccc(C(=O)NCC(C)(C)[NH3+])cc2NC1=O ZINC000159979950 364289589 /nfs/dbraw/zinc/28/95/89/364289589.db2.gz IGYWWYUXOHTACH-MRVPVSSYSA-N 1 0 293.392 1.586 20 70 CDIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CC[NH2+]C1 ZINC000160452330 364354083 /nfs/dbraw/zinc/35/40/83/364354083.db2.gz AASVHGNONXKNOX-FZMZJTMJSA-N 1 0 276.336 1.402 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000160524243 364366336 /nfs/dbraw/zinc/36/63/36/364366336.db2.gz VYDLPRRBPJVTPG-GFCCVEGCSA-N 1 0 285.351 1.010 20 70 CDIDRO CC[C@H](COC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161012957 364438895 /nfs/dbraw/zinc/43/88/95/364438895.db2.gz KPJOPTHVWMWZQS-CYBMUJFWSA-N 1 0 280.368 1.326 20 70 CDIDRO O=C(CCOCc1ccccc1)N1CCC[NH2+]CC1 ZINC000160833396 364417361 /nfs/dbraw/zinc/41/73/61/364417361.db2.gz GKTANGAYXDAEOR-UHFFFAOYSA-N 1 0 262.353 1.415 20 70 CDIDRO COc1cc(C[N@@H+](C)CC(OC)OC)ccc1O ZINC000160924504 364427646 /nfs/dbraw/zinc/42/76/46/364427646.db2.gz CEXACJYFMQUKOL-UHFFFAOYSA-N 1 0 255.314 1.452 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000161160531 367356730 /nfs/dbraw/zinc/35/67/30/367356730.db2.gz HBJYTSYHPKSTFD-CYBMUJFWSA-N 1 0 272.352 1.087 20 70 CDIDRO COc1cc(C)c(C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000160075027 376998853 /nfs/dbraw/zinc/99/88/53/376998853.db2.gz VAJXCAPWGVWPCK-UHFFFAOYSA-N 1 0 266.341 1.479 20 70 CDIDRO CC(C)([NH3+])CNC(=O)c1cccnc1N1CCCC1 ZINC000160066456 376999488 /nfs/dbraw/zinc/99/94/88/376999488.db2.gz MNUCVFCDOWUYKN-UHFFFAOYSA-N 1 0 262.357 1.149 20 70 CDIDRO CCCCCS(=O)(=O)CC(=O)NCC([NH3+])(CC)CC ZINC000160439465 377064412 /nfs/dbraw/zinc/06/44/12/377064412.db2.gz HCXASKVVDYLWLB-UHFFFAOYSA-N 1 0 292.445 1.225 20 70 CDIDRO Cc1ccccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160687077 377101413 /nfs/dbraw/zinc/10/14/13/377101413.db2.gz RTVYKEBNIAXQGN-UHFFFAOYSA-N 1 0 276.380 1.429 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000160221980 378634832 /nfs/dbraw/zinc/63/48/32/378634832.db2.gz WGQIIBGMZLXUBD-GFCCVEGCSA-N 1 0 264.756 1.931 20 70 CDIDRO COCCC1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000161030604 533195571 /nfs/dbraw/zinc/19/55/71/533195571.db2.gz VFDCXVQNAUCJFM-AWEZNQCLSA-N 1 0 297.443 1.786 20 70 CDIDRO CCCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218611990 392975215 /nfs/dbraw/zinc/97/52/15/392975215.db2.gz CUMLNQHMVSNEFY-KBPBESRZSA-N 1 0 297.443 1.086 20 70 CDIDRO COc1ccc(C)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159918117 139907995 /nfs/dbraw/zinc/90/79/95/139907995.db2.gz HMAWQUCUNSIEJL-GFCCVEGCSA-N 1 0 298.408 1.361 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cn(CCC(C)C)nn1 ZINC000161175608 264272915 /nfs/dbraw/zinc/27/29/15/264272915.db2.gz GOTHMXFCOQITRK-GFCCVEGCSA-N 1 0 279.388 1.148 20 70 CDIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)CC(N)=O)CC2 ZINC000161358508 274126181 /nfs/dbraw/zinc/12/61/81/274126181.db2.gz UKSVJXNWRMCWNE-MFKMUULPSA-N 1 0 262.353 1.406 20 70 CDIDRO CS[C@@H]1CCC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000159577842 277519099 /nfs/dbraw/zinc/51/90/99/277519099.db2.gz SMTMZFAWJXGJGB-UMNHJUIQSA-N 1 0 260.378 1.478 20 70 CDIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2CCCCC2)CC1 ZINC000161275023 278089161 /nfs/dbraw/zinc/08/91/61/278089161.db2.gz ASOZSCNGBIVXMC-IUDNXUCKSA-N 1 0 281.444 1.898 20 70 CDIDRO C[C@H](C[NH2+]C[C@H](O)COCc1ccccc1)N(C)C1CC1 ZINC000218646038 280091155 /nfs/dbraw/zinc/09/11/55/280091155.db2.gz FBHNXMUFLOAGDZ-PBHICJAKSA-N 1 0 292.423 1.636 20 70 CDIDRO CS[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159665876 292764415 /nfs/dbraw/zinc/76/44/15/292764415.db2.gz KAITYWHOWRLNCZ-RYUDHWBXSA-N 1 0 273.446 1.769 20 70 CDIDRO O[C@H](C1CC[NH+](CCn2cccn2)CC1)C(F)(F)F ZINC000161201365 292801784 /nfs/dbraw/zinc/80/17/84/292801784.db2.gz PMPMJJFZJJXNSS-LLVKDONJSA-N 1 0 277.290 1.518 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ncn1 ZINC000161204728 292801924 /nfs/dbraw/zinc/80/19/24/292801924.db2.gz FSTBWPJQLNJNMS-HNNXBMFYSA-N 1 0 284.363 1.818 20 70 CDIDRO COC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000159436129 293134286 /nfs/dbraw/zinc/13/42/86/293134286.db2.gz AHHGFRWONIRDPP-GJZGRUSLSA-N 1 0 297.443 1.831 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000160850622 482831956 /nfs/dbraw/zinc/83/19/56/482831956.db2.gz YTZIKDCSHVOCIP-ZIAGYGMSSA-N 1 0 299.374 1.457 20 70 CDIDRO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161321395 482873668 /nfs/dbraw/zinc/87/36/68/482873668.db2.gz QCHUSGOEOSQVNB-RWMBFGLXSA-N 1 0 281.400 1.164 20 70 CDIDRO CC1CCN(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000160527914 520981811 /nfs/dbraw/zinc/98/18/11/520981811.db2.gz KTQDZKMFHTUQKK-ZDUSSCGKSA-N 1 0 253.390 1.864 20 70 CDIDRO C[N@@H+]1CCN(CCn2cccn2)[C@H](c2ccccc2)C1 ZINC000161331729 523905794 /nfs/dbraw/zinc/90/57/94/523905794.db2.gz CQVWGEHGXDLPCB-INIZCTEOSA-N 1 0 270.380 1.872 20 70 CDIDRO CO[C@H]1CCN(Cc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000161020965 523997785 /nfs/dbraw/zinc/99/77/85/523997785.db2.gz CUTMAGKJOOJEFY-RYUDHWBXSA-N 1 0 270.323 1.903 20 70 CDIDRO COc1cccc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995016 525950040 /nfs/dbraw/zinc/95/00/40/525950040.db2.gz LDARQRUYMVNIQT-HIFRSBDPSA-N 1 0 264.369 1.633 20 70 CDIDRO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2CCOCC2CC2)C[C@H](C)O1 ZINC000159635520 361755659 /nfs/dbraw/zinc/75/56/59/361755659.db2.gz LYMGYAVNSXCRIW-ZOBUZTSGSA-N 1 0 296.455 1.987 20 70 CDIDRO CC(C)OC(=O)CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000159663490 361766136 /nfs/dbraw/zinc/76/61/36/361766136.db2.gz YMKYFAHYWNGJLY-UHFFFAOYSA-N 1 0 299.415 1.359 20 70 CDIDRO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)Sc1ccccc1 ZINC000161120857 361875622 /nfs/dbraw/zinc/87/56/22/361875622.db2.gz SQTVSTOLGICAHY-NEPJUHHUSA-N 1 0 264.394 1.893 20 70 CDIDRO Cc1ccccc1O[C@H](C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000161174349 361908402 /nfs/dbraw/zinc/90/84/02/361908402.db2.gz KLYQHSMUVLVRDR-OLZOCXBDSA-N 1 0 262.353 1.488 20 70 CDIDRO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159906866 361927216 /nfs/dbraw/zinc/92/72/16/361927216.db2.gz BINCEBUILQEVMR-SMDDNHRTSA-N 1 0 285.351 1.149 20 70 CDIDRO CC(=O)Nc1cccc(C[NH2+]Cc2cnn(C)c2C)c1 ZINC000160071229 539115386 /nfs/dbraw/zinc/11/53/86/539115386.db2.gz MZPHVALKFSAXFM-UHFFFAOYSA-N 1 0 272.352 1.977 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000161217188 342398891 /nfs/dbraw/zinc/39/88/91/342398891.db2.gz RKUGBHKDRFJNGQ-CYBMUJFWSA-N 1 0 295.427 1.365 20 70 CDIDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccoc3)C2=O)n(C)n1 ZINC000160821560 362182369 /nfs/dbraw/zinc/18/23/69/362182369.db2.gz YZIWVAIUFJEZOG-DGCLKSJQSA-N 1 0 288.351 1.778 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)N(C)CCn1cccn1 ZINC000161294529 362424903 /nfs/dbraw/zinc/42/49/03/362424903.db2.gz NHCSGTWUVBWPIE-UHFFFAOYSA-N 1 0 252.362 1.107 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000160332896 362414533 /nfs/dbraw/zinc/41/45/33/362414533.db2.gz HZXTVSHRAMMIEI-HIFRSBDPSA-N 1 0 263.337 1.385 20 70 CDIDRO CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160693814 346196373 /nfs/dbraw/zinc/19/63/73/346196373.db2.gz SDIQBKFQTJMLCV-OAHLLOKOSA-N 1 0 288.395 1.707 20 70 CDIDRO O=C(C[C@@H]1C[NH2+]CCO1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161220098 362708584 /nfs/dbraw/zinc/70/85/84/362708584.db2.gz KPEGCQXMYIGYDL-LSDHHAIUSA-N 1 0 296.411 1.315 20 70 CDIDRO COc1cccc(OCCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000160197303 188459302 /nfs/dbraw/zinc/45/93/02/188459302.db2.gz GAKFRUSJCISMKX-STQMWFEESA-N 1 0 292.379 1.708 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000160238954 188461330 /nfs/dbraw/zinc/46/13/30/188461330.db2.gz IJXJXLUHCDFRDY-OPRDCNLKSA-N 1 0 266.291 1.628 20 70 CDIDRO CCn1nc(C)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000160320255 188465634 /nfs/dbraw/zinc/46/56/34/188465634.db2.gz IBJKVCNCVKYLTG-MNOVXSKESA-N 1 0 250.346 1.586 20 70 CDIDRO COc1ccc(-c2n[nH]cc2C(=O)NCCC[NH3+])cc1 ZINC000160048217 188452679 /nfs/dbraw/zinc/45/26/79/188452679.db2.gz RWLJRCLRMYCUFS-UHFFFAOYSA-N 1 0 274.324 1.164 20 70 CDIDRO CCO[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000160487418 188476592 /nfs/dbraw/zinc/47/65/92/188476592.db2.gz QGIBAQGZPPZCSS-ZIAGYGMSSA-N 1 0 262.353 1.585 20 70 CDIDRO CCc1ccc(OCC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160507963 188477695 /nfs/dbraw/zinc/47/76/95/188477695.db2.gz KHTVQPZEUWHZMI-ZDUSSCGKSA-N 1 0 262.353 1.448 20 70 CDIDRO CCCn1nc(C)c(C(=O)NCCC[NH+](C)C)c1C ZINC000161202640 188514541 /nfs/dbraw/zinc/51/45/41/188514541.db2.gz ODXABXGRKUXHOM-UHFFFAOYSA-N 1 0 266.389 1.591 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2scnc2C)CC1 ZINC000159822363 363353912 /nfs/dbraw/zinc/35/39/12/363353912.db2.gz PJJVHEVBXNJHCH-UHFFFAOYSA-N 1 0 282.413 1.689 20 70 CDIDRO CCN(CC[NH2+]Cc1cncnc1)C(=O)OC(C)(C)C ZINC000218183904 366363547 /nfs/dbraw/zinc/36/35/47/366363547.db2.gz NKODFWCRFCLCNR-UHFFFAOYSA-N 1 0 280.372 1.823 20 70 CDIDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000159450690 358565833 /nfs/dbraw/zinc/56/58/33/358565833.db2.gz CKDUBNVQGPITAM-LBPRGKRZSA-N 1 0 263.341 1.496 20 70 CDIDRO O=C(CC1(O)CCCCC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160287135 237174721 /nfs/dbraw/zinc/17/47/21/237174721.db2.gz CJVDERFDXKTDSH-CQSZACIVSA-N 1 0 298.427 1.035 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000160957576 360102951 /nfs/dbraw/zinc/10/29/51/360102951.db2.gz XPUDTSUBBCJCOZ-NSHDSACASA-N 1 0 292.383 1.252 20 70 CDIDRO O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000161004008 361611340 /nfs/dbraw/zinc/61/13/40/361611340.db2.gz HSGAKFSUGDEPDP-ZETCQYMHSA-N 1 0 293.314 1.778 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000159424801 364204233 /nfs/dbraw/zinc/20/42/33/364204233.db2.gz GNBICDKBEQVICB-NEPJUHHUSA-N 1 0 282.359 1.485 20 70 CDIDRO C[C@@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160012165 364293869 /nfs/dbraw/zinc/29/38/69/364293869.db2.gz JGUVOQSXMNOEMZ-SECBINFHSA-N 1 0 270.760 1.961 20 70 CDIDRO Cc1ccccc1C(=O)N[C@@H](C(=O)NCCC[NH3+])C(C)C ZINC000160052211 364299139 /nfs/dbraw/zinc/29/91/39/364299139.db2.gz ZFTKFWUDVSARBR-CQSZACIVSA-N 1 0 291.395 1.214 20 70 CDIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@H](C)[NH3+] ZINC000160096125 364306198 /nfs/dbraw/zinc/30/61/98/364306198.db2.gz IDWMSROAZFNKBG-NSHDSACASA-N 1 0 252.333 1.954 20 70 CDIDRO C[C@@H]1CCc2c(C(=O)NCCC[NH3+])csc2C1 ZINC000160134535 364311214 /nfs/dbraw/zinc/31/12/14/364311214.db2.gz LIWGDVMQWNPFJG-SECBINFHSA-N 1 0 252.383 1.952 20 70 CDIDRO CCn1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461361 364355848 /nfs/dbraw/zinc/35/58/48/364355848.db2.gz POQYKISCLBYJRZ-GWCFXTLKSA-N 1 0 274.372 1.469 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C1 ZINC000160476212 364359260 /nfs/dbraw/zinc/35/92/60/364359260.db2.gz XYRWUSMLPRWOSD-NEPJUHHUSA-N 1 0 294.420 1.996 20 70 CDIDRO CC[NH+](CC)[C@H](C(=O)NC[C@H](C)CO)c1ccccc1 ZINC000160529829 364368045 /nfs/dbraw/zinc/36/80/45/364368045.db2.gz BPPDXLNKWUSIKS-ZFWWWQNUSA-N 1 0 278.396 1.814 20 70 CDIDRO CC(=O)NC1CCC([NH2+]CCc2cccnc2)CC1 ZINC000161270075 364472323 /nfs/dbraw/zinc/47/23/23/364472323.db2.gz KFFGYVUKUBKPOL-UHFFFAOYSA-N 1 0 261.369 1.661 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000161409630 364848912 /nfs/dbraw/zinc/84/89/12/364848912.db2.gz FZUJZPSBCLRIEW-SNVBAGLBSA-N 1 0 293.342 1.466 20 70 CDIDRO CC(C)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1F ZINC000217768033 367258410 /nfs/dbraw/zinc/25/84/10/367258410.db2.gz ALAGUNLYYRGMPZ-DGCLKSJQSA-N 1 0 295.358 1.332 20 70 CDIDRO CSC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000217844866 367259592 /nfs/dbraw/zinc/25/95/92/367259592.db2.gz ITGSUHNEZZKHPC-CQSZACIVSA-N 1 0 292.408 1.675 20 70 CDIDRO O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CC[NH2+]CC1 ZINC000159406803 284585566 /nfs/dbraw/zinc/58/55/66/284585566.db2.gz HGEMLKWYGYDUJE-NVXWUHKLSA-N 1 0 270.376 1.712 20 70 CDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160451390 377089630 /nfs/dbraw/zinc/08/96/30/377089630.db2.gz QTGOPJIOGICSEZ-DZGCQCFKSA-N 1 0 290.363 1.935 20 70 CDIDRO O=C(c1ccc(F)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160144722 377308567 /nfs/dbraw/zinc/30/85/67/377308567.db2.gz QKIJFAAKRGATPV-PHIMTYICSA-N 1 0 266.291 1.931 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C12CCCCC2 ZINC000161181464 390956163 /nfs/dbraw/zinc/95/61/63/390956163.db2.gz RZJIDFPWTNRKSJ-MJBXVCDLSA-N 1 0 296.411 1.219 20 70 CDIDRO C[C@H](C[NH2+]Cc1ccc2c(c1)NC(=O)CO2)N(C)C1CC1 ZINC000217557082 392961828 /nfs/dbraw/zinc/96/18/28/392961828.db2.gz VZUMOLDCQRMHEB-LLVKDONJSA-N 1 0 289.379 1.590 20 70 CDIDRO C[C@]1(O)CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160440720 139910214 /nfs/dbraw/zinc/91/02/14/139910214.db2.gz GPMVLDOGVFBHAO-WFASDCNBSA-N 1 0 281.400 1.027 20 70 CDIDRO COC(C)(C)C[C@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000160965278 292068057 /nfs/dbraw/zinc/06/80/57/292068057.db2.gz GMDLSZOGWDHLDI-LBPRGKRZSA-N 1 0 290.407 1.803 20 70 CDIDRO COc1cccc(OCCCNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160207747 147713278 /nfs/dbraw/zinc/71/32/78/147713278.db2.gz SMZGRQMYWVNKKV-CYBMUJFWSA-N 1 0 292.379 1.722 20 70 CDIDRO COc1ccc(Cl)cc1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160129107 264238633 /nfs/dbraw/zinc/23/86/33/264238633.db2.gz FMISSXHCCABFAY-LBPRGKRZSA-N 1 0 282.771 1.841 20 70 CDIDRO CC[C@@H](COC)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161183493 280153059 /nfs/dbraw/zinc/15/30/59/280153059.db2.gz VWNSCKGMCHFKNE-ZDUSSCGKSA-N 1 0 280.416 1.952 20 70 CDIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000159402404 292758074 /nfs/dbraw/zinc/75/80/74/292758074.db2.gz SLJQIDYOSMBLDZ-TZMCWYRMSA-N 1 0 258.406 1.630 20 70 CDIDRO C[C@@H](NC(=O)NCc1ncccc1F)C(C)(C)C[NH+](C)C ZINC000160033649 292776379 /nfs/dbraw/zinc/77/63/79/292776379.db2.gz HKVXDMYXUUWASV-LLVKDONJSA-N 1 0 296.390 1.996 20 70 CDIDRO C[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000160266002 292781938 /nfs/dbraw/zinc/78/19/38/292781938.db2.gz HYZNSAOKZJVECX-KBPBESRZSA-N 1 0 295.427 1.045 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000161157896 295376470 /nfs/dbraw/zinc/37/64/70/295376470.db2.gz LHDNYYRWOMIPCS-QWHCGFSZSA-N 1 0 292.379 1.721 20 70 CDIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCC2 ZINC000159550042 482707392 /nfs/dbraw/zinc/70/73/92/482707392.db2.gz LMIGHYYNYRGZPQ-RQJABVFESA-N 1 0 280.412 1.968 20 70 CDIDRO CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160879556 482835256 /nfs/dbraw/zinc/83/52/56/482835256.db2.gz KQKREULNWUWBFJ-NEPJUHHUSA-N 1 0 283.416 1.315 20 70 CDIDRO Cc1nn(C)c2sc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000161102198 482861466 /nfs/dbraw/zinc/86/14/66/482861466.db2.gz ULTJYLCEOYSABV-VHSXEESVSA-N 1 0 292.408 1.943 20 70 CDIDRO C[C@@H](COc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000160847424 534169332 /nfs/dbraw/zinc/16/93/32/534169332.db2.gz PDXVDYGBNMOQRT-ZDUSSCGKSA-N 1 0 262.353 1.523 20 70 CDIDRO CN(CC[NH2+][C@@H](C(N)=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000160526157 522871632 /nfs/dbraw/zinc/87/16/32/522871632.db2.gz CVUJFSTXPADBAC-AWEZNQCLSA-N 1 0 295.402 1.747 20 70 CDIDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000161288970 523607560 /nfs/dbraw/zinc/60/75/60/523607560.db2.gz YCWKRRBTUWHCBO-RYUDHWBXSA-N 1 0 291.399 1.145 20 70 CDIDRO CO[C@H]1CCN(Cc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000160977521 523997723 /nfs/dbraw/zinc/99/77/23/523997723.db2.gz KWXWFAHLGOUDLC-RYUDHWBXSA-N 1 0 270.323 1.903 20 70 CDIDRO C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Sc1ccccc1 ZINC000161121317 524444760 /nfs/dbraw/zinc/44/47/60/524444760.db2.gz CJKQTGSGPKMGQK-BXUZGUMPSA-N 1 0 282.384 1.985 20 70 CDIDRO Cc1noc([C@H]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000161265237 526667457 /nfs/dbraw/zinc/66/74/57/526667457.db2.gz NHAKEAKQCQFWIL-WFASDCNBSA-N 1 0 292.383 1.474 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCCO ZINC000161038126 527967861 /nfs/dbraw/zinc/96/78/61/527967861.db2.gz BOLAIZPMNGFRPU-ZDUSSCGKSA-N 1 0 271.405 1.179 20 70 CDIDRO CCC[C@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000161445254 528371080 /nfs/dbraw/zinc/37/10/80/528371080.db2.gz NYZXUBSLQRHWSE-KBPBESRZSA-N 1 0 268.401 1.794 20 70 CDIDRO CC(C)[C@@H]1C(=O)NCCN1CCC[NH+]1CCCCC1 ZINC000161029851 528646947 /nfs/dbraw/zinc/64/69/47/528646947.db2.gz DKHYLQZCJMIVMC-CQSZACIVSA-N 1 0 267.417 1.319 20 70 CDIDRO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160748246 538849998 /nfs/dbraw/zinc/84/99/98/538849998.db2.gz BAOXFDLWDSRUIH-DOMZBBRYSA-N 1 0 282.428 1.774 20 70 CDIDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cccc(C)c2)CCOC1 ZINC000160314340 342072911 /nfs/dbraw/zinc/07/29/11/342072911.db2.gz TWQXSAGIJSDMRE-ZBFHGGJFSA-N 1 0 295.379 1.130 20 70 CDIDRO C[N@H+](CCC(=O)NC1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159740995 361821326 /nfs/dbraw/zinc/82/13/26/361821326.db2.gz SXKCCABIOSSELG-JSGCOSHPSA-N 1 0 268.401 1.528 20 70 CDIDRO CO[C@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000161137868 361883242 /nfs/dbraw/zinc/88/32/42/361883242.db2.gz DEXCYUDPVPZONC-QWRGUYRKSA-N 1 0 283.759 1.313 20 70 CDIDRO CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159920190 361939809 /nfs/dbraw/zinc/93/98/09/361939809.db2.gz GYIKFZONMQDOBN-XHSDSOJGSA-N 1 0 287.407 1.642 20 70 CDIDRO C[C@H]1C[N@H+](Cc2nn(C)c3ccccc23)CC[C@@H]1O ZINC000159434010 539114120 /nfs/dbraw/zinc/11/41/20/539114120.db2.gz YMNHWWVUIXUFDW-NHYWBVRUSA-N 1 0 259.353 1.776 20 70 CDIDRO O=C(CCCn1cccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159460488 539114191 /nfs/dbraw/zinc/11/41/91/539114191.db2.gz SYLGNQBHDLSTDC-OAHLLOKOSA-N 1 0 275.396 1.869 20 70 CDIDRO CC(C)([NH3+])CNC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000159944890 342371272 /nfs/dbraw/zinc/37/12/72/342371272.db2.gz CJPMIUBPEXTUTJ-UHFFFAOYSA-N 1 0 290.342 1.407 20 70 CDIDRO C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1O ZINC000159417242 362320494 /nfs/dbraw/zinc/32/04/94/362320494.db2.gz ZVKWELHDRKEBHI-DOMZBBRYSA-N 1 0 261.365 1.867 20 70 CDIDRO O=C([C@H]1CCCO1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000160970384 362357341 /nfs/dbraw/zinc/35/73/41/362357341.db2.gz DLORRIRAFPFDTJ-HUUCEWRRSA-N 1 0 278.396 1.666 20 70 CDIDRO CN(C(=O)[C@@H]1OCCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159777470 362370020 /nfs/dbraw/zinc/37/00/20/362370020.db2.gz RVDMZENOUPSMRY-HUUCEWRRSA-N 1 0 274.364 1.496 20 70 CDIDRO CN(CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H](C[NH3+])C1CC1 ZINC000160012846 362386402 /nfs/dbraw/zinc/38/64/02/362386402.db2.gz HHMREFPJTJJKHH-NSHDSACASA-N 1 0 294.399 1.580 20 70 CDIDRO CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000160057393 362391201 /nfs/dbraw/zinc/39/12/01/362391201.db2.gz KCZLUJFZCDEEAL-LBPRGKRZSA-N 1 0 291.351 1.023 20 70 CDIDRO COCc1ccccc1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000160144864 362398139 /nfs/dbraw/zinc/39/81/39/362398139.db2.gz WVWJBQDLMVESOX-HNNXBMFYSA-N 1 0 265.353 1.728 20 70 CDIDRO CCCCCN(CCO)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160626540 346182229 /nfs/dbraw/zinc/18/22/29/346182229.db2.gz IRNNTDOCXUTFOL-OAHLLOKOSA-N 1 0 297.443 1.665 20 70 CDIDRO CN(C)c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(F)c1 ZINC000159582562 363016087 /nfs/dbraw/zinc/01/60/87/363016087.db2.gz XGUILWQZVKVEMG-HNNXBMFYSA-N 1 0 293.386 1.962 20 70 CDIDRO CCCNC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159683690 363192046 /nfs/dbraw/zinc/19/20/46/363192046.db2.gz NOMDUJZUUXBWMY-UHFFFAOYSA-N 1 0 258.362 1.082 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000159587844 188433158 /nfs/dbraw/zinc/43/31/58/188433158.db2.gz OSJMVWOQOYKDIG-LBPRGKRZSA-N 1 0 280.368 1.838 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)C1 ZINC000160476094 188475958 /nfs/dbraw/zinc/47/59/58/188475958.db2.gz XYRWUSMLPRWOSD-RYUDHWBXSA-N 1 0 294.420 1.996 20 70 CDIDRO C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)Oc1ccccc1 ZINC000161465693 188529118 /nfs/dbraw/zinc/52/91/18/188529118.db2.gz OKQMOSJXIPAAGN-CZUORRHYSA-N 1 0 276.380 1.960 20 70 CDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)SC)C1 ZINC000159768835 363288157 /nfs/dbraw/zinc/28/81/57/363288157.db2.gz QWEOCHXOTAUUQD-VXGBXAGGSA-N 1 0 273.446 1.769 20 70 CDIDRO COC(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)OC ZINC000160433673 358636383 /nfs/dbraw/zinc/63/63/83/358636383.db2.gz QOPVXXBKGJWCFO-UHFFFAOYSA-N 1 0 298.427 1.720 20 70 CDIDRO CCC(=O)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000159466966 358597209 /nfs/dbraw/zinc/59/72/09/358597209.db2.gz ZZOSWZMQDLDKRW-UHFFFAOYSA-N 1 0 254.374 1.357 20 70 CDIDRO C[NH+](C)C[C@@H]1CN(Cc2ccnc(Cl)c2)CCO1 ZINC000216935032 358971979 /nfs/dbraw/zinc/97/19/79/358971979.db2.gz ASMPDINRTOJZBZ-GFCCVEGCSA-N 1 0 269.776 1.497 20 70 CDIDRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)C1CC1 ZINC000160716965 296000420 /nfs/dbraw/zinc/00/04/20/296000420.db2.gz AKGGLSJWBKBCHV-JSGCOSHPSA-N 1 0 267.417 1.413 20 70 CDIDRO CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000160971966 360462004 /nfs/dbraw/zinc/46/20/04/360462004.db2.gz LJHJEHQMWRZCBW-GJZGRUSLSA-N 1 0 290.407 1.886 20 70 CDIDRO COC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000160259303 363799559 /nfs/dbraw/zinc/79/95/59/363799559.db2.gz DSMJWSLLCCOGEO-CQSZACIVSA-N 1 0 267.369 1.579 20 70 CDIDRO O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CC[NH2+]CC1 ZINC000159393551 361681731 /nfs/dbraw/zinc/68/17/31/361681731.db2.gz OBLLGLQORZTPNR-UHFFFAOYSA-N 1 0 298.346 1.659 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000160459117 363878860 /nfs/dbraw/zinc/87/88/60/363878860.db2.gz KCPBGZUZWWTPJO-ZIAGYGMSSA-N 1 0 268.401 1.792 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000160360812 364036572 /nfs/dbraw/zinc/03/65/72/364036572.db2.gz ATPVFNAJPKEPPJ-AWEZNQCLSA-N 1 0 270.336 1.436 20 70 CDIDRO CCCC[C@@H](COC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160584804 364065452 /nfs/dbraw/zinc/06/54/52/364065452.db2.gz CTEUNYLXRIHXEL-VIFPVBQESA-N 1 0 270.295 1.460 20 70 CDIDRO CC[C@H](C(=O)NCCOc1ccc(Cl)cn1)[NH+](C)C ZINC000159394626 364198974 /nfs/dbraw/zinc/19/89/74/364198974.db2.gz KQOTVQHQBPHZCH-LLVKDONJSA-N 1 0 285.775 1.570 20 70 CDIDRO Cn1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159405149 364200283 /nfs/dbraw/zinc/20/02/83/364200283.db2.gz ZMCOYZLFXMEIJV-AWEZNQCLSA-N 1 0 299.440 1.319 20 70 CDIDRO CN(Cc1cccs1)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159672402 364249993 /nfs/dbraw/zinc/24/99/93/364249993.db2.gz UGJNODZCSWOLED-OCCSQVGLSA-N 1 0 296.436 1.799 20 70 CDIDRO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000159842170 364272223 /nfs/dbraw/zinc/27/22/23/364272223.db2.gz ZHBOOYKBULZAGF-DLBZAZTESA-N 1 0 298.386 1.715 20 70 CDIDRO COc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000160217946 364319742 /nfs/dbraw/zinc/31/97/42/364319742.db2.gz CJUYFXUFBSXZIU-LLVKDONJSA-N 1 0 294.326 1.357 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000160296648 364330360 /nfs/dbraw/zinc/33/03/60/364330360.db2.gz WTVGYJVHDMPJNI-LLVKDONJSA-N 1 0 256.309 1.250 20 70 CDIDRO CCc1cc(=O)[nH]c(CN(C)C[C@H]2CCCCO2)n1 ZINC000160978830 364435671 /nfs/dbraw/zinc/43/56/71/364435671.db2.gz MJUXZMUMHVIVHW-GFCCVEGCSA-N 1 0 265.357 1.746 20 70 CDIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(-c2nnnn2CC)c1 ZINC000161128651 364451915 /nfs/dbraw/zinc/45/19/15/364451915.db2.gz HMWGLWCTLYRAJA-NSHDSACASA-N 1 0 274.328 1.036 20 70 CDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NCC[C@@H](O)c2ccccc2)C1 ZINC000160847890 364418780 /nfs/dbraw/zinc/41/87/80/364418780.db2.gz NQHDNLXUALZGOX-HZSPNIEDSA-N 1 0 262.353 1.354 20 70 CDIDRO CNC(=O)c1ccc(C[NH2+]C[C@@](C)(O)CSC)cc1 ZINC000217842264 367259441 /nfs/dbraw/zinc/25/94/41/367259441.db2.gz QZLFULRJTRJLRV-CQSZACIVSA-N 1 0 282.409 1.250 20 70 CDIDRO CCN(C(=O)CN(C)[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000160046810 284148287 /nfs/dbraw/zinc/14/82/87/284148287.db2.gz OUQHQOBTCFHVOK-HNNXBMFYSA-N 1 0 281.444 1.837 20 70 CDIDRO CO[C@@]1(C[NH2+]CC(=O)Nc2cccc(F)c2)CCOC1 ZINC000160273585 370090807 /nfs/dbraw/zinc/09/08/07/370090807.db2.gz OVEJVKBGXGQLMQ-CQSZACIVSA-N 1 0 282.315 1.159 20 70 CDIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161506643 375651106 /nfs/dbraw/zinc/65/11/06/375651106.db2.gz BCQDUFRZWHBXKD-SWLSCSKDSA-N 1 0 290.363 1.792 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000160524610 377084314 /nfs/dbraw/zinc/08/43/14/377084314.db2.gz ADUUZNKMXGINPI-JTQLQIEISA-N 1 0 250.317 1.787 20 70 CDIDRO CCC[N@H+](CCO)Cc1ccc([S@@](C)=O)cc1 ZINC000161231408 377493968 /nfs/dbraw/zinc/49/39/68/377493968.db2.gz AIRWNXZKACZPQB-KRWDZBQOSA-N 1 0 255.383 1.628 20 70 CDIDRO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cn2)n1 ZINC000160320258 390978697 /nfs/dbraw/zinc/97/86/97/390978697.db2.gz NOYPCZPEWQBBFB-CQSZACIVSA-N 1 0 299.378 1.447 20 70 CDIDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC000160845895 391527690 /nfs/dbraw/zinc/52/76/90/391527690.db2.gz AQGIFMGNMIGGMW-KGLIPLIRSA-N 1 0 292.427 1.937 20 70 CDIDRO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000217522551 140163179 /nfs/dbraw/zinc/16/31/79/140163179.db2.gz XWNIENNPXRMWJY-TZMCWYRMSA-N 1 0 273.380 1.387 20 70 CDIDRO CN(CC(=O)NCCCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000160048127 147707460 /nfs/dbraw/zinc/70/74/60/147707460.db2.gz KPGFABVVRINWBU-MRXNPFEDSA-N 1 0 289.423 1.405 20 70 CDIDRO COc1cccc([C@H](C)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160174507 147711394 /nfs/dbraw/zinc/71/13/94/147711394.db2.gz JZLBDJSJOBTFJF-AAEUAGOBSA-N 1 0 262.353 1.748 20 70 CDIDRO CC1(C)[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]2CCO[C@@H]21 ZINC000159547216 276161808 /nfs/dbraw/zinc/16/18/08/276161808.db2.gz RBYKNKWBCMLMLO-DJIHRAIXSA-N 1 0 252.358 1.058 20 70 CDIDRO CC(=O)Nc1ccc(CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159984521 277072721 /nfs/dbraw/zinc/07/27/21/277072721.db2.gz IYKXPEBJFBXZSG-UHFFFAOYSA-N 1 0 263.341 1.041 20 70 CDIDRO C[NH+]1CCC(CCNC(=O)NC2(C)CCC2)CC1 ZINC000160737608 292793439 /nfs/dbraw/zinc/79/34/39/292793439.db2.gz UGEOGFGZNYZVBY-UHFFFAOYSA-N 1 0 253.390 1.960 20 70 CDIDRO CCC[NH+]1CCC(NC(=O)c2cc(C)ncn2)CC1 ZINC000161277223 292803239 /nfs/dbraw/zinc/80/32/39/292803239.db2.gz UOPXAOGGVOHQTA-UHFFFAOYSA-N 1 0 262.357 1.389 20 70 CDIDRO CCN(CC[NH2+]C[C@H](O)COc1cccc(C)c1)C1CC1 ZINC000218460210 329469930 /nfs/dbraw/zinc/46/99/30/329469930.db2.gz PRWVVKQUKWNGME-INIZCTEOSA-N 1 0 292.423 1.809 20 70 CDIDRO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161152983 482864613 /nfs/dbraw/zinc/86/46/13/482864613.db2.gz GKEGWLOWSFRBDK-XQQFMLRXSA-N 1 0 292.379 1.706 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161336975 482874817 /nfs/dbraw/zinc/87/48/17/482874817.db2.gz PJYAURLHOCVJAF-GHMZBOCLSA-N 1 0 258.325 1.563 20 70 CDIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc[nH]c1=O ZINC000161501843 521750808 /nfs/dbraw/zinc/75/08/08/521750808.db2.gz XUZBWNSVBFJHTD-UHFFFAOYSA-N 1 0 299.374 1.991 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160750704 522500331 /nfs/dbraw/zinc/50/03/31/522500331.db2.gz QEGXITFXLJBUMY-LBPRGKRZSA-N 1 0 271.320 1.776 20 70 CDIDRO CC[C@](C)(O)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000160664003 523493068 /nfs/dbraw/zinc/49/30/68/523493068.db2.gz LQRJJWIXBPNGQS-HIFRSBDPSA-N 1 0 270.417 1.333 20 70 CDIDRO COc1ccc(CN(C)CC[NH+]2CCCC2)cc1O ZINC000160675109 524005089 /nfs/dbraw/zinc/00/50/89/524005089.db2.gz KDGZLJPMPUPZDX-UHFFFAOYSA-N 1 0 264.369 1.928 20 70 CDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160065167 528257900 /nfs/dbraw/zinc/25/79/00/528257900.db2.gz QIFMAJXMOYWNRJ-UKRRQHHQSA-N 1 0 283.416 1.275 20 70 CDIDRO CC[C@](C)(O)C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000160447620 529372954 /nfs/dbraw/zinc/37/29/54/529372954.db2.gz DGOCAUNPIONJSB-AWEZNQCLSA-N 1 0 250.342 1.718 20 70 CDIDRO CC[C@H](C)[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(=O)OC ZINC000217911658 535853510 /nfs/dbraw/zinc/85/35/10/535853510.db2.gz CVVVKBVWDYADJQ-NJZAAPMLSA-N 1 0 292.379 1.780 20 70 CDIDRO COc1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)ccc1F ZINC000160344830 342072888 /nfs/dbraw/zinc/07/28/88/342072888.db2.gz LZOAJTULCILTGS-GXSJLCMTSA-N 1 0 268.288 1.150 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000161149255 361889524 /nfs/dbraw/zinc/88/95/24/361889524.db2.gz ONPXTAGHQWQVLA-QWRGUYRKSA-N 1 0 268.332 1.565 20 70 CDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(OCCOC)c1 ZINC000161152763 361900874 /nfs/dbraw/zinc/90/08/74/361900874.db2.gz HQFRJHODACDEQF-CQSZACIVSA-N 1 0 292.379 1.536 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2csc(C)n2)CC1 ZINC000159570554 539114391 /nfs/dbraw/zinc/11/43/91/539114391.db2.gz MWZOSIWHVKVFNZ-UHFFFAOYSA-N 1 0 282.413 1.689 20 70 CDIDRO O=C(CC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160022940 362006268 /nfs/dbraw/zinc/00/62/68/362006268.db2.gz BMNDAHARWMMWPK-XQQFMLRXSA-N 1 0 252.358 1.299 20 70 CDIDRO O=C([C@H]1CCOc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160252147 362082466 /nfs/dbraw/zinc/08/24/66/362082466.db2.gz FEDPUESEQLCLLW-GUTXKFCHSA-N 1 0 286.375 1.906 20 70 CDIDRO CCc1nnc(CN[C@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000160273792 362406978 /nfs/dbraw/zinc/40/69/78/362406978.db2.gz OYELWJHTIVFZNE-SNVBAGLBSA-N 1 0 288.351 1.989 20 70 CDIDRO CO[C@@]1(C[NH2+]C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000160333031 362414744 /nfs/dbraw/zinc/41/47/44/362414744.db2.gz HZXTVSHRAMMIEI-UKRRQHHQSA-N 1 0 263.337 1.385 20 70 CDIDRO CNC(=O)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000160675669 362466700 /nfs/dbraw/zinc/46/67/00/362466700.db2.gz LFYKXMLJWIKMKC-CYBMUJFWSA-N 1 0 253.390 1.073 20 70 CDIDRO Cc1cc(C)n(CCCNC(=O)CC[C@H]2CC[NH2+]C2)n1 ZINC000160806642 362500638 /nfs/dbraw/zinc/50/06/38/362500638.db2.gz KWNJQBSCKUBRCK-AWEZNQCLSA-N 1 0 278.400 1.396 20 70 CDIDRO CCn1nnnc1-c1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000159585948 188433385 /nfs/dbraw/zinc/43/33/85/188433385.db2.gz KSEDGQZFELQKGJ-SNVBAGLBSA-N 1 0 288.355 1.154 20 70 CDIDRO CS[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159868103 363385844 /nfs/dbraw/zinc/38/58/44/363385844.db2.gz FOJBQSNBHDZSBY-NXEZZACHSA-N 1 0 259.419 1.520 20 70 CDIDRO c1nc2ccccn2c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000160798733 358771755 /nfs/dbraw/zinc/77/17/55/358771755.db2.gz ANUOISZHGJFZFW-CQSZACIVSA-N 1 0 286.379 1.241 20 70 CDIDRO O=C(c1ccccc1OC[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000159442644 359299764 /nfs/dbraw/zinc/29/97/64/359299764.db2.gz NXTQRSNXORLGJK-CYBMUJFWSA-N 1 0 290.363 1.290 20 70 CDIDRO CN(CC1CCOCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000160176977 363721864 /nfs/dbraw/zinc/72/18/64/363721864.db2.gz VYELTLNLJWUJRO-LSDHHAIUSA-N 1 0 297.443 1.927 20 70 CDIDRO CC(C)Oc1ccc([C@H](O)CNC(=O)CCC[NH3+])cc1 ZINC000160978058 360463206 /nfs/dbraw/zinc/46/32/06/360463206.db2.gz LXDRSJJAYRKTBF-CQSZACIVSA-N 1 0 280.368 1.362 20 70 CDIDRO CN(C)C(=O)c1ccc(NCC2([NH+](C)C)CCCC2)nn1 ZINC000161035226 360552087 /nfs/dbraw/zinc/55/20/87/360552087.db2.gz GBPQHRRRHZWRKE-UHFFFAOYSA-N 1 0 291.399 1.465 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000160997124 361024900 /nfs/dbraw/zinc/02/49/00/361024900.db2.gz YGVFJQRYQFTVHH-YNEHKIRRSA-N 1 0 266.385 1.592 20 70 CDIDRO Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160258606 361181001 /nfs/dbraw/zinc/18/10/01/361181001.db2.gz AYAMIQYDPNZMMM-GFCCVEGCSA-N 1 0 271.320 1.823 20 70 CDIDRO CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000160220019 363766377 /nfs/dbraw/zinc/76/63/77/363766377.db2.gz NZWOKLCDBVWMTB-GJZGRUSLSA-N 1 0 297.443 1.929 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000160319793 361421686 /nfs/dbraw/zinc/42/16/86/361421686.db2.gz VIXWGSNECHUFMM-CYBMUJFWSA-N 1 0 268.320 1.317 20 70 CDIDRO CC[N@H+](CCNC(=O)CCCn1cccc1)C1CC1 ZINC000159391023 364196315 /nfs/dbraw/zinc/19/63/15/364196315.db2.gz ISHGNTFTKURLIE-UHFFFAOYSA-N 1 0 263.385 1.869 20 70 CDIDRO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH2+]CC1 ZINC000159455463 364209339 /nfs/dbraw/zinc/20/93/39/364209339.db2.gz JXVPUULWKUVJTR-CYBMUJFWSA-N 1 0 262.353 1.584 20 70 CDIDRO COc1cccc(C2(CNC(=O)C[NH3+])CCCC2)c1 ZINC000159476588 364214633 /nfs/dbraw/zinc/21/46/33/364214633.db2.gz GLDUXYJGFSREMK-UHFFFAOYSA-N 1 0 262.353 1.582 20 70 CDIDRO CC(=O)N(C)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159660677 364247188 /nfs/dbraw/zinc/24/71/88/364247188.db2.gz SMXSPQWZPCUJNR-UHFFFAOYSA-N 1 0 254.374 1.356 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NC1(c2ccccc2F)CC1 ZINC000159759803 364262120 /nfs/dbraw/zinc/26/21/20/364262120.db2.gz RNECZTAIRKOTJP-JTQLQIEISA-N 1 0 250.317 1.787 20 70 CDIDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159818472 364270430 /nfs/dbraw/zinc/27/04/30/364270430.db2.gz WQFGPGWJAWRZPY-CQDKDKBSSA-N 1 0 276.380 1.224 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159952731 364284253 /nfs/dbraw/zinc/28/42/53/364284253.db2.gz SJJSKJILOBVGDG-YPMHNXCESA-N 1 0 293.342 1.031 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023521 364296014 /nfs/dbraw/zinc/29/60/14/364296014.db2.gz HJVPCWMZFXOVSS-LBPRGKRZSA-N 1 0 295.408 1.212 20 70 CDIDRO O=C(c1cccc(NCc2ncc[nH]2)c1)N1CCOCC1 ZINC000160155714 364312746 /nfs/dbraw/zinc/31/27/46/364312746.db2.gz IFYIMSXGUAMAEG-UHFFFAOYSA-N 1 0 286.335 1.494 20 70 CDIDRO O=C(NCC1(c2cccc(Cl)c2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000160547817 364371260 /nfs/dbraw/zinc/37/12/60/364371260.db2.gz JVGQTPXJCGVSBF-ZDUSSCGKSA-N 1 0 294.782 1.476 20 70 CDIDRO Cc1cnccc1CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000160812628 364412308 /nfs/dbraw/zinc/41/23/08/364412308.db2.gz CNNAJBZFOSLBDA-CYBMUJFWSA-N 1 0 290.411 1.714 20 70 CDIDRO COCCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160930943 364429021 /nfs/dbraw/zinc/42/90/21/364429021.db2.gz NWXHYCIWAHLVHJ-CYBMUJFWSA-N 1 0 294.395 1.887 20 70 CDIDRO CC[C@@H](C(=O)Nc1cccc(CC(=O)OC)c1)[NH+](C)C ZINC000161274362 364473215 /nfs/dbraw/zinc/47/32/15/364473215.db2.gz YHNKILMWBFPCEJ-ZDUSSCGKSA-N 1 0 278.352 1.681 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 ZINC000160295974 364640385 /nfs/dbraw/zinc/64/03/85/364640385.db2.gz IEFSLHRXPPEKCH-SNVBAGLBSA-N 1 0 254.330 1.477 20 70 CDIDRO CCn1cnnc1CNCc1cccc(OC)c1OC ZINC000218231185 368788500 /nfs/dbraw/zinc/78/85/00/368788500.db2.gz RUSSTVHGXOPSCV-UHFFFAOYSA-N 1 0 276.340 1.605 20 70 CDIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000161423974 372798900 /nfs/dbraw/zinc/79/89/00/372798900.db2.gz BMAFTVCHAYUYKC-SNPRPXQTSA-N 1 0 274.364 1.379 20 70 CDIDRO CCC[C@@H](NC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000161499818 377693767 /nfs/dbraw/zinc/69/37/67/377693767.db2.gz RLBQFQBAXDFDRN-QWHCGFSZSA-N 1 0 298.431 1.204 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)C1 ZINC000160718670 533031014 /nfs/dbraw/zinc/03/10/14/533031014.db2.gz FZERPFHVBCHCAP-RYUDHWBXSA-N 1 0 272.414 1.109 20 70 CDIDRO C[NH+](C)CC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159435013 390975276 /nfs/dbraw/zinc/97/52/76/390975276.db2.gz XFNLMUNMJGWMGW-UONOGXRCSA-N 1 0 262.353 1.585 20 70 CDIDRO CC[C@H]([NH3+])C(=O)N(CCOC)Cc1ccc2c(c1)OCO2 ZINC000159706031 390976175 /nfs/dbraw/zinc/97/61/75/390976175.db2.gz QGJYSGIIEVYJBE-LBPRGKRZSA-N 1 0 294.351 1.128 20 70 CDIDRO CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000218002269 140164792 /nfs/dbraw/zinc/16/47/92/140164792.db2.gz IXUJQEXEYUOCFL-QWHCGFSZSA-N 1 0 253.390 1.911 20 70 CDIDRO C[C@@H](NC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000217522187 140162645 /nfs/dbraw/zinc/16/26/45/140162645.db2.gz FENBCEGPLYWFNQ-VXGBXAGGSA-N 1 0 295.814 1.940 20 70 CDIDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217484493 140164099 /nfs/dbraw/zinc/16/40/99/140164099.db2.gz AQVCURMHMQLLRD-CZXHOFHRSA-N 1 0 283.416 1.027 20 70 CDIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CC[C@@H](C)O ZINC000159909998 279902356 /nfs/dbraw/zinc/90/23/56/279902356.db2.gz VJVIHYIJEIIEDN-TZMCWYRMSA-N 1 0 286.416 1.009 20 70 CDIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CC[C@H](C)O ZINC000159910130 280321145 /nfs/dbraw/zinc/32/11/45/280321145.db2.gz VJVIHYIJEIIEDN-JSGCOSHPSA-N 1 0 286.416 1.009 20 70 CDIDRO COc1ccccc1/C=C/C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159399845 292758168 /nfs/dbraw/zinc/75/81/68/292758168.db2.gz ZHDMEDBJHQOPMR-LXXRFIIISA-N 1 0 286.375 1.920 20 70 CDIDRO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000159744580 292767688 /nfs/dbraw/zinc/76/76/88/292767688.db2.gz DNEROKOYPMQSMU-MGPQQGTHSA-N 1 0 297.443 1.974 20 70 CDIDRO CC(=O)N1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159731659 292767691 /nfs/dbraw/zinc/76/76/91/292767691.db2.gz DVDMEOWTLMNOKW-OAHLLOKOSA-N 1 0 289.379 1.099 20 70 CDIDRO C[C@H]1CN(C(=O)N2CCC(C)CC2)C[C@@H]1[NH+](C)C ZINC000160714529 300134624 /nfs/dbraw/zinc/13/46/24/300134624.db2.gz JNTWQJCGRWZTDR-STQMWFEESA-N 1 0 253.390 1.720 20 70 CDIDRO O=C(Nc1nncn1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000159631177 482737296 /nfs/dbraw/zinc/73/72/96/482737296.db2.gz NGRGXAFBRUZUEN-CYBMUJFWSA-N 1 0 285.351 1.407 20 70 CDIDRO CC[C@@H](O)CCNC(=O)NCCC[NH+](CC)CC ZINC000160663131 522979886 /nfs/dbraw/zinc/97/98/86/522979886.db2.gz NJJVQNKUDUKPRC-GFCCVEGCSA-N 1 0 259.394 1.179 20 70 CDIDRO COc1ccccc1C[N@H+](CCO)CCOCC1CC1 ZINC000160483724 524440543 /nfs/dbraw/zinc/44/05/43/524440543.db2.gz XTYOCOUMXHHLKM-UHFFFAOYSA-N 1 0 279.380 1.916 20 70 CDIDRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC(O)C1 ZINC000161473696 526468006 /nfs/dbraw/zinc/46/80/06/526468006.db2.gz HWMFWSGPLGXESM-CYBMUJFWSA-N 1 0 292.354 1.241 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)CC2 ZINC000160530895 527196270 /nfs/dbraw/zinc/19/62/70/527196270.db2.gz LAUPNSJKGPSBHG-NWDGAFQWSA-N 1 0 278.400 1.837 20 70 CDIDRO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160790675 539116803 /nfs/dbraw/zinc/11/68/03/539116803.db2.gz USCLROYTVLDLJO-YGRLFVJLSA-N 1 0 280.343 1.855 20 70 CDIDRO CC[C@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160889158 362196122 /nfs/dbraw/zinc/19/61/22/362196122.db2.gz FVCREILIOQMHES-KBPBESRZSA-N 1 0 295.427 1.824 20 70 CDIDRO COC1(C(=O)N[C@H](C)Cc2ccc(C)s2)CC[NH2+]CC1 ZINC000159794758 362371039 /nfs/dbraw/zinc/37/10/39/362371039.db2.gz WWRMFHQPSIRUAI-LLVKDONJSA-N 1 0 296.436 1.872 20 70 CDIDRO COc1ccccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159954411 362382095 /nfs/dbraw/zinc/38/20/95/362382095.db2.gz YFFKLHIFHJOVDL-LLVKDONJSA-N 1 0 284.381 1.053 20 70 CDIDRO CCCc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159944247 362381295 /nfs/dbraw/zinc/38/12/95/362381295.db2.gz MLISKWOFWTYPHX-OAHLLOKOSA-N 1 0 296.436 1.997 20 70 CDIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1C ZINC000160016467 362386657 /nfs/dbraw/zinc/38/66/57/362386657.db2.gz AYNRNLBHEZURSL-OAHLLOKOSA-N 1 0 275.396 1.911 20 70 CDIDRO Cc1nn(C)c2ncc(C[NH2+]CC3(CO)CCCC3)cc12 ZINC000160093104 362394066 /nfs/dbraw/zinc/39/40/66/362394066.db2.gz DKOVGRHWEQSWPB-UHFFFAOYSA-N 1 0 288.395 1.919 20 70 CDIDRO O=C(N[C@@H]1CCOC1)N1CC[NH+](C2CCCC2)CC1 ZINC000159446707 295761625 /nfs/dbraw/zinc/76/16/25/295761625.db2.gz GDHUQNBQIUJMIZ-GFCCVEGCSA-N 1 0 267.373 1.045 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(COC)c1 ZINC000161367914 362798366 /nfs/dbraw/zinc/79/83/66/362798366.db2.gz DWWHBHKHEZQCSB-AWEZNQCLSA-N 1 0 262.353 1.657 20 70 CDIDRO O=C(NCc1ncccc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159633726 363089781 /nfs/dbraw/zinc/08/97/81/363089781.db2.gz AGBPUIILTXCBGO-LLVKDONJSA-N 1 0 292.358 1.504 20 70 CDIDRO Cc1ccc(/C=C/C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000159376524 188422835 /nfs/dbraw/zinc/42/28/35/188422835.db2.gz FSELBGOAYWUPKR-MBVDDHJVSA-N 1 0 260.337 1.813 20 70 CDIDRO Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159764999 188440085 /nfs/dbraw/zinc/44/00/85/188440085.db2.gz JJFURFHFBBJNCR-LLVKDONJSA-N 1 0 275.352 1.310 20 70 CDIDRO Cc1nn(CC(=O)N2CCC[C@@H]2C[NH3+])c(C)c1Cl ZINC000160321627 357371475 /nfs/dbraw/zinc/37/14/75/357371475.db2.gz OFQBTYPJYBGWPL-SNVBAGLBSA-N 1 0 270.764 1.103 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160567293 359652392 /nfs/dbraw/zinc/65/23/92/359652392.db2.gz ZQABAOBVFJXDJC-QWRGUYRKSA-N 1 0 258.325 1.397 20 70 CDIDRO CN(CC1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000160177166 363721273 /nfs/dbraw/zinc/72/12/73/363721273.db2.gz VYELTLNLJWUJRO-HUUCEWRRSA-N 1 0 297.443 1.927 20 70 CDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000161088139 360644149 /nfs/dbraw/zinc/64/41/49/360644149.db2.gz YZCJMJHZLBNSRW-DOMZBBRYSA-N 1 0 292.448 1.988 20 70 CDIDRO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)no1 ZINC000161080986 360816143 /nfs/dbraw/zinc/81/61/43/360816143.db2.gz PLMXQVCSVTUCJO-MNOVXSKESA-N 1 0 267.329 1.157 20 70 CDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000160203235 363755738 /nfs/dbraw/zinc/75/57/38/363755738.db2.gz ONMOGGYLTODCHM-KBPBESRZSA-N 1 0 266.385 1.281 20 70 CDIDRO CC1CCN(C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000160297489 361386135 /nfs/dbraw/zinc/38/61/35/361386135.db2.gz MRMRXBWQLBZYTP-UHFFFAOYSA-N 1 0 253.390 1.864 20 70 CDIDRO CC[C@@H](OC1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000159408620 361689557 /nfs/dbraw/zinc/68/95/57/361689557.db2.gz NDEDQRSWTKMBCM-CYBMUJFWSA-N 1 0 254.374 1.546 20 70 CDIDRO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)cc1 ZINC000159560244 361730587 /nfs/dbraw/zinc/73/05/87/361730587.db2.gz VQGPJGIIWCQJFI-CHWSQXEVSA-N 1 0 264.369 1.312 20 70 CDIDRO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160363483 363826588 /nfs/dbraw/zinc/82/65/88/363826588.db2.gz KYITVBGUNZUKGY-CQSZACIVSA-N 1 0 278.352 1.162 20 70 CDIDRO O=C(c1c[nH]nc1-c1ccccc1F)N1CC[NH2+]CC1 ZINC000159408203 364201385 /nfs/dbraw/zinc/20/13/85/364201385.db2.gz JTTLESIZSXYQGX-UHFFFAOYSA-N 1 0 274.299 1.261 20 70 CDIDRO [NH3+]C1(CNC(=O)COc2ccc(F)cc2)CCCCC1 ZINC000159457793 364211391 /nfs/dbraw/zinc/21/13/91/364211391.db2.gz IWRVZAWAXVCXMY-UHFFFAOYSA-N 1 0 280.343 1.982 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2cnn(C)c2)CC1 ZINC000159804229 364267434 /nfs/dbraw/zinc/26/74/34/364267434.db2.gz RZIWRHUJJMCKAF-UHFFFAOYSA-N 1 0 293.415 1.090 20 70 CDIDRO C[NH2+]CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159801969 364267566 /nfs/dbraw/zinc/26/75/66/364267566.db2.gz ALSJLFAIXAMHBA-JQWIXIFHSA-N 1 0 250.317 1.750 20 70 CDIDRO Cc1ccc(-c2nc(C(=O)N3CC[C@@H]([NH3+])C3)cs2)o1 ZINC000160318188 364335160 /nfs/dbraw/zinc/33/51/60/364335160.db2.gz LXQOGOZYXBAFRE-SECBINFHSA-N 1 0 277.349 1.885 20 70 CDIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000160127598 364309066 /nfs/dbraw/zinc/30/90/66/364309066.db2.gz CKKSOVHCMZABHC-JTQLQIEISA-N 1 0 291.376 1.294 20 70 CDIDRO CC(C)([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160382896 364344482 /nfs/dbraw/zinc/34/44/82/364344482.db2.gz BGMZMLWOYBOVQA-GFCCVEGCSA-N 1 0 264.344 1.954 20 70 CDIDRO CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000160977137 364434771 /nfs/dbraw/zinc/43/47/71/364434771.db2.gz GKRUKRMOBROJBQ-LSDHHAIUSA-N 1 0 294.395 1.607 20 70 CDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NOCc1cccnc1 ZINC000161076305 364444873 /nfs/dbraw/zinc/44/48/73/364444873.db2.gz RPZRSACKIMEVEX-ZDUSSCGKSA-N 1 0 292.383 1.687 20 70 CDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(OC)cc1 ZINC000161244014 364468991 /nfs/dbraw/zinc/46/89/91/364468991.db2.gz FZTSPNSKSZAUJS-LBPRGKRZSA-N 1 0 278.352 1.284 20 70 CDIDRO [NH3+]CC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035279 365247131 /nfs/dbraw/zinc/24/71/31/365247131.db2.gz YHQWONLELPTVNX-UHFFFAOYSA-N 1 0 264.325 1.389 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSCc2ccccn2)C1 ZINC000161424895 373704156 /nfs/dbraw/zinc/70/41/56/373704156.db2.gz LGNLRKMERMQSNL-NEPJUHHUSA-N 1 0 279.409 1.701 20 70 CDIDRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000160842137 376148314 /nfs/dbraw/zinc/14/83/14/376148314.db2.gz ZBVMNSCYTOSJPD-GJZGRUSLSA-N 1 0 274.364 1.647 20 70 CDIDRO CC(C)([NH3+])CNC(=O)CSC[C@H]1CCCCO1 ZINC000160071652 377000809 /nfs/dbraw/zinc/00/08/09/377000809.db2.gz QWRDEKKPKXLLMT-SNVBAGLBSA-N 1 0 260.403 1.142 20 70 CDIDRO C[C@@H](C(=O)NCC1(CCO)CCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160142952 377050539 /nfs/dbraw/zinc/05/05/39/377050539.db2.gz IJZMJVXMSXQPTP-MCIONIFRSA-N 1 0 282.428 1.917 20 70 CDIDRO Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1F ZINC000160624977 377097712 /nfs/dbraw/zinc/09/77/12/377097712.db2.gz AWPBCNWYXMURTN-UHFFFAOYSA-N 1 0 294.370 1.568 20 70 CDIDRO CC(C)[NH+]1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161228716 377198041 /nfs/dbraw/zinc/19/80/41/377198041.db2.gz UMAMZCORZMUDLC-CQSZACIVSA-N 1 0 299.459 1.956 20 70 CDIDRO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161338325 377591094 /nfs/dbraw/zinc/59/10/94/377591094.db2.gz IAOBZLYDUXCPII-CYBMUJFWSA-N 1 0 276.384 1.774 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CC(C)(C)OC)CC1 ZINC000159913034 285214102 /nfs/dbraw/zinc/21/41/02/285214102.db2.gz OVMDZEYALLMGIY-CYBMUJFWSA-N 1 0 285.432 1.927 20 70 CDIDRO COC[C@H]([NH3+])C(=O)Nc1ccccc1N1CCCCC1 ZINC000159438063 392476895 /nfs/dbraw/zinc/47/68/95/392476895.db2.gz PIKHCEWTTSOJHM-LBPRGKRZSA-N 1 0 277.368 1.589 20 70 CDIDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159938330 392492788 /nfs/dbraw/zinc/49/27/88/392492788.db2.gz YLQDHZHWNWKQIL-ZDUSSCGKSA-N 1 0 282.409 1.661 20 70 CDIDRO COc1ccccc1CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159865148 139906900 /nfs/dbraw/zinc/90/69/00/139906900.db2.gz UABGDCXZIWUITK-ZDUSSCGKSA-N 1 0 262.353 1.433 20 70 CDIDRO O=C(Nc1ccn(CC(F)(F)F)n1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000218456917 424615871 /nfs/dbraw/zinc/61/58/71/424615871.db2.gz MGZVHJKPUKNJSF-PRJMDXOYSA-N 1 0 274.246 1.134 20 70 CDIDRO CC[C@H](C(=O)NC[C@H](O)C1CCCCC1)[NH+](C)C ZINC000160242140 280679710 /nfs/dbraw/zinc/67/97/10/280679710.db2.gz LNDVCNDVELSKAV-OLZOCXBDSA-N 1 0 256.390 1.384 20 70 CDIDRO CO[C@H]1CCN(C(=O)CCc2ccco2)[C@H](C[NH3+])C1 ZINC000161077031 292799838 /nfs/dbraw/zinc/79/98/38/292799838.db2.gz ZQJYTPAJIYKFHW-AAEUAGOBSA-N 1 0 266.341 1.177 20 70 CDIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000160199262 482788990 /nfs/dbraw/zinc/78/89/90/482788990.db2.gz HWKFCZXBWAWNQF-CYBMUJFWSA-N 1 0 271.332 1.580 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3cccc(OC)c3o2)C1 ZINC000160658496 482817145 /nfs/dbraw/zinc/81/71/45/482817145.db2.gz RZNLNADDCYFCKU-LLVKDONJSA-N 1 0 274.320 1.875 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000160990017 482850059 /nfs/dbraw/zinc/85/00/59/482850059.db2.gz MOOQOVKHOFBDCU-YVECIDJPSA-N 1 0 266.385 1.578 20 70 CDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC000161311715 482873798 /nfs/dbraw/zinc/87/37/98/482873798.db2.gz NFQHHWSXUHYPAT-STQMWFEESA-N 1 0 280.343 1.981 20 70 CDIDRO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161456225 482879225 /nfs/dbraw/zinc/87/92/25/482879225.db2.gz SCGDRQMDRWCAEW-RQJABVFESA-N 1 0 268.401 1.968 20 70 CDIDRO CCCN(CC[NH+](C)C)C(=O)c1cnc2c(c1)ncn2C ZINC000160400632 521656701 /nfs/dbraw/zinc/65/67/01/521656701.db2.gz QBCQVBAPKVNOGH-UHFFFAOYSA-N 1 0 289.383 1.382 20 70 CDIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000161428511 523199353 /nfs/dbraw/zinc/19/93/53/523199353.db2.gz JGJFKTXIRYRSCM-NEPJUHHUSA-N 1 0 252.358 1.694 20 70 CDIDRO CCn1nc(C(C)C)cc1C(=O)N1CCC[NH2+]CC1 ZINC000160878103 523614494 /nfs/dbraw/zinc/61/44/94/523614494.db2.gz DDXWUFXCWBSOFM-UHFFFAOYSA-N 1 0 264.373 1.462 20 70 CDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(CCO)C1CC1 ZINC000160787469 526921295 /nfs/dbraw/zinc/92/12/95/526921295.db2.gz NYVLYLCJIBVPKB-GFCCVEGCSA-N 1 0 281.400 1.170 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CCOCC(C)C)CC1 ZINC000161022542 528281171 /nfs/dbraw/zinc/28/11/71/528281171.db2.gz XAVRVHIJKUWWAG-UHFFFAOYSA-N 1 0 270.417 1.897 20 70 CDIDRO COC(=O)NCCCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159821401 361868606 /nfs/dbraw/zinc/86/86/06/361868606.db2.gz YXEJJTJXHWRZBI-UHFFFAOYSA-N 1 0 297.399 1.113 20 70 CDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000161125593 361877029 /nfs/dbraw/zinc/87/70/29/361877029.db2.gz CTJQXMRDIXCDCO-SECBINFHSA-N 1 0 285.369 1.124 20 70 CDIDRO Cc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000161173965 361908292 /nfs/dbraw/zinc/90/82/92/361908292.db2.gz KLYQHSMUVLVRDR-QWHCGFSZSA-N 1 0 262.353 1.488 20 70 CDIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159648431 342367930 /nfs/dbraw/zinc/36/79/30/342367930.db2.gz XKDXDQCWXBTQIS-ZBFHGGJFSA-N 1 0 276.380 1.744 20 70 CDIDRO CCC(CC)(C[NH3+])C(=O)NCCCn1nc(C)cc1C ZINC000159414610 362320553 /nfs/dbraw/zinc/32/05/53/362320553.db2.gz LSYCIXUZNKNOSX-UHFFFAOYSA-N 1 0 280.416 1.771 20 70 CDIDRO COC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000159444124 362322613 /nfs/dbraw/zinc/32/26/13/362322613.db2.gz QTQWPRVBUIFEAK-KGLIPLIRSA-N 1 0 278.352 1.236 20 70 CDIDRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cnn(C)c1 ZINC000159581779 362345580 /nfs/dbraw/zinc/34/55/80/362345580.db2.gz MTDINCLWNZYWFF-FZMZJTMJSA-N 1 0 272.352 1.167 20 70 CDIDRO CCCCOCCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000160194369 362403687 /nfs/dbraw/zinc/40/36/87/362403687.db2.gz ULNUXMWJVSRMNL-UHFFFAOYSA-N 1 0 268.405 1.783 20 70 CDIDRO CCOc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160151039 362399225 /nfs/dbraw/zinc/39/92/25/362399225.db2.gz LRHXSOPXOKNNJA-HNNXBMFYSA-N 1 0 291.395 1.693 20 70 CDIDRO CCn1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cn1 ZINC000160581284 362448866 /nfs/dbraw/zinc/44/88/66/362448866.db2.gz AEOYHFDMGMUBPZ-MRVPVSSYSA-N 1 0 278.278 1.232 20 70 CDIDRO C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)CC[NH2+]1 ZINC000217217168 344839567 /nfs/dbraw/zinc/83/95/67/344839567.db2.gz YLHDWLSMPDBEAG-JTQLQIEISA-N 1 0 268.307 1.718 20 70 CDIDRO CS(=O)(=O)c1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000159736713 345263369 /nfs/dbraw/zinc/26/33/69/345263369.db2.gz FEPSUPPLAYDDBU-UHFFFAOYSA-N 1 0 282.409 1.276 20 70 CDIDRO CC1(O)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000161234338 362872384 /nfs/dbraw/zinc/87/23/84/362872384.db2.gz VGCFFNDWNQPLMS-OAHLLOKOSA-N 1 0 279.380 1.411 20 70 CDIDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCO ZINC000159673338 188436199 /nfs/dbraw/zinc/43/61/99/188436199.db2.gz QKUUMHFKUGOEGA-NSHDSACASA-N 1 0 284.787 1.659 20 70 CDIDRO CC(C)Cc1nc(C(=O)N2CCC[C@@H]2C[NH3+])cs1 ZINC000160321882 188466610 /nfs/dbraw/zinc/46/66/10/188466610.db2.gz MAFVZSJQUPWAKF-SNVBAGLBSA-N 1 0 267.398 1.905 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 ZINC000160621798 188483831 /nfs/dbraw/zinc/48/38/31/188483831.db2.gz USZWEEGDWLGNEP-GFCCVEGCSA-N 1 0 285.351 1.010 20 70 CDIDRO COC(=O)c1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c[nH]1 ZINC000160594012 188482250 /nfs/dbraw/zinc/48/22/50/188482250.db2.gz BTRPKRYXZSQQTJ-NSHDSACASA-N 1 0 266.341 1.849 20 70 CDIDRO C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Oc1ccccc1F ZINC000161164460 358789851 /nfs/dbraw/zinc/78/98/51/358789851.db2.gz QQENDWVNYQJGQN-IINYFYTJSA-N 1 0 284.306 1.411 20 70 CDIDRO [NH3+]CC(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160124384 237169600 /nfs/dbraw/zinc/16/96/00/237169600.db2.gz XPHCJZMZEIVFGQ-CQSZACIVSA-N 1 0 262.353 1.546 20 70 CDIDRO C[C@@]1(CNC(=O)c2ccc(C[NH3+])o2)CCCC[C@H]1O ZINC000160841806 482830330 /nfs/dbraw/zinc/83/03/30/482830330.db2.gz VAHUAZSNBHOYLE-OCCSQVGLSA-N 1 0 266.341 1.409 20 70 CDIDRO COc1ccc(/C=C\C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000218335175 361327988 /nfs/dbraw/zinc/32/79/88/361327988.db2.gz VINNUSDSLXPYIJ-ISRGKOJGSA-N 1 0 272.348 1.386 20 70 CDIDRO CCC[C@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161003616 361611990 /nfs/dbraw/zinc/61/19/90/361611990.db2.gz PLCQTOBDUFLMMA-LURJTMIESA-N 1 0 281.303 1.906 20 70 CDIDRO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000159478378 361711069 /nfs/dbraw/zinc/71/10/69/361711069.db2.gz WTWBKTZLUCYTIV-WCQYABFASA-N 1 0 292.383 1.509 20 70 CDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000160568127 364022094 /nfs/dbraw/zinc/02/20/94/364022094.db2.gz MTXXWUNSMPUTAC-QWRGUYRKSA-N 1 0 280.420 1.949 20 70 CDIDRO C[C@@H](O)CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000159377556 364194565 /nfs/dbraw/zinc/19/45/65/364194565.db2.gz COGSTCDNMMFVQT-ZJUUUORDSA-N 1 0 261.325 1.297 20 70 CDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000159436024 364205734 /nfs/dbraw/zinc/20/57/34/364205734.db2.gz GZSRGJGFCGBQCQ-QWRGUYRKSA-N 1 0 268.332 1.143 20 70 CDIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159805627 364267303 /nfs/dbraw/zinc/26/73/03/364267303.db2.gz SNYTWZDIKSMNGE-ZLDLUXBVSA-N 1 0 292.354 1.519 20 70 CDIDRO CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160278351 364327423 /nfs/dbraw/zinc/32/74/23/364327423.db2.gz KOOPWUCRWYNCDH-ZDUSSCGKSA-N 1 0 275.352 1.598 20 70 CDIDRO CC[C@H](C(=O)Nc1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000159909838 364279026 /nfs/dbraw/zinc/27/90/26/364279026.db2.gz WFHRPOUSMUXFRV-CYBMUJFWSA-N 1 0 291.351 1.922 20 70 CDIDRO COc1ccc(C(=O)CCCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160009679 364294497 /nfs/dbraw/zinc/29/44/97/364294497.db2.gz NZHPBSSEFXXBDA-UHFFFAOYSA-N 1 0 292.379 1.902 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000160620574 364382721 /nfs/dbraw/zinc/38/27/21/364382721.db2.gz PNTVZSPYLTWFRL-UONOGXRCSA-N 1 0 261.369 1.110 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000160926364 364429084 /nfs/dbraw/zinc/42/90/84/364429084.db2.gz GZZWBCDEYSXONE-GXTWGEPZSA-N 1 0 289.379 1.072 20 70 CDIDRO Cc1ncc([C@H](C)[NH2+]CC(=O)NC(C)C)c(C)n1 ZINC000160936421 364430021 /nfs/dbraw/zinc/43/00/21/364430021.db2.gz POYMWHWDTYWWED-VIFPVBQESA-N 1 0 250.346 1.269 20 70 CDIDRO c1cn(CC[NH+]2CCN(Cc3ccncc3)CC2)cn1 ZINC000161205937 364463233 /nfs/dbraw/zinc/46/32/33/364463233.db2.gz QPGBSZIJYWKYCN-UHFFFAOYSA-N 1 0 271.368 1.096 20 70 CDIDRO CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000217830418 367258030 /nfs/dbraw/zinc/25/80/30/367258030.db2.gz CLARUPUMSWGCBT-KCPJHIHWSA-N 1 0 276.380 1.710 20 70 CDIDRO CCc1cccc(OC[C@@H](O)C[NH2+]CC(=O)N(C)CC)c1 ZINC000218112998 373741073 /nfs/dbraw/zinc/74/10/73/373741073.db2.gz OIWPZWGNKQTCHH-AWEZNQCLSA-N 1 0 294.395 1.057 20 70 CDIDRO COc1c(C)cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000160323778 377056898 /nfs/dbraw/zinc/05/68/98/377056898.db2.gz HIEBYXWRAODPBT-ZDUSSCGKSA-N 1 0 262.353 1.762 20 70 CDIDRO CC1(C)C[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000161489264 377682726 /nfs/dbraw/zinc/68/27/26/377682726.db2.gz JTRDGOYNUKHNDK-ZDUSSCGKSA-N 1 0 295.427 1.870 20 70 CDIDRO COc1cc(N(C)C(=O)C(C)(C)C[NH3+])cc(OC)c1OC ZINC000160854918 532951114 /nfs/dbraw/zinc/95/11/14/532951114.db2.gz CYMXEMLECSOFNL-UHFFFAOYSA-N 1 0 296.367 1.660 20 70 CDIDRO CC[C@@H]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000159568270 390940302 /nfs/dbraw/zinc/94/03/02/390940302.db2.gz FEYFSESQMUTETA-CYBMUJFWSA-N 1 0 268.401 1.794 20 70 CDIDRO Cc1cccc(C)c1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160025177 392495621 /nfs/dbraw/zinc/49/56/21/392495621.db2.gz LXIBUKDESCELTK-CQSZACIVSA-N 1 0 275.396 1.911 20 70 CDIDRO CN(C)C(=O)c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000160359669 139910121 /nfs/dbraw/zinc/91/01/21/139910121.db2.gz PVJTZYMJQJMKLE-JTQLQIEISA-N 1 0 293.342 1.608 20 70 CDIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)C)C12CCC2 ZINC000160527516 286316898 /nfs/dbraw/zinc/31/68/98/286316898.db2.gz HUPYZTJKJGNXNT-NWDGAFQWSA-N 1 0 254.374 1.354 20 70 CDIDRO C[C@@H]1Sc2ccc(C(=O)NCC(C)(C)[NH3+])cc2NC1=O ZINC000159980081 274426280 /nfs/dbraw/zinc/42/62/80/274426280.db2.gz IGYWWYUXOHTACH-QMMMGPOBSA-N 1 0 293.392 1.586 20 70 CDIDRO COCC[NH2+]CC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000159896431 277533588 /nfs/dbraw/zinc/53/35/88/277533588.db2.gz YCXYWZDQKPABCU-GJZGRUSLSA-N 1 0 290.407 1.935 20 70 CDIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C12CCC2 ZINC000160994525 279809157 /nfs/dbraw/zinc/80/91/57/279809157.db2.gz PGBYFHRDLFKKQZ-QJPTWQEYSA-N 1 0 254.374 1.306 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000159380797 292757525 /nfs/dbraw/zinc/75/75/25/292757525.db2.gz YDDRXUJIMGDVQO-MWLCHTKSSA-N 1 0 282.315 1.669 20 70 CDIDRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000159623212 292762967 /nfs/dbraw/zinc/76/29/67/292762967.db2.gz PJVSJFPGPLPRAN-JSGCOSHPSA-N 1 0 268.401 1.792 20 70 CDIDRO CC1CC[NH+](CCNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160305280 292783097 /nfs/dbraw/zinc/78/30/97/292783097.db2.gz NXCYUHAZSSXHPD-HNNXBMFYSA-N 1 0 283.416 1.275 20 70 CDIDRO COc1ccc(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160956018 482845312 /nfs/dbraw/zinc/84/53/12/482845312.db2.gz AZQPMTVUCMBIHB-OLZOCXBDSA-N 1 0 292.379 1.850 20 70 CDIDRO COCCOc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161058518 482857367 /nfs/dbraw/zinc/85/73/67/482857367.db2.gz PXHPEPAJPUYUID-KBPBESRZSA-N 1 0 292.379 1.712 20 70 CDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161509797 482882519 /nfs/dbraw/zinc/88/25/19/482882519.db2.gz MEYJSZAZVUFPIJ-ZJUUUORDSA-N 1 0 262.309 1.415 20 70 CDIDRO CCCC[C@@H](COC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160468074 521057791 /nfs/dbraw/zinc/05/77/91/521057791.db2.gz OLJAKBSIVIJMIH-OLZOCXBDSA-N 1 0 266.389 1.696 20 70 CDIDRO CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000161092251 519914994 /nfs/dbraw/zinc/91/49/94/519914994.db2.gz FTWNYOSRPYPGPA-AWEZNQCLSA-N 1 0 268.401 1.651 20 70 CDIDRO [NH3+]CCCNC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000160123291 534616550 /nfs/dbraw/zinc/61/65/50/534616550.db2.gz BXLWPVLGEYGXHD-UHFFFAOYSA-N 1 0 284.363 1.828 20 70 CDIDRO COC(=O)[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161294380 523676504 /nfs/dbraw/zinc/67/65/04/523676504.db2.gz MDGGCXVNCWRCBW-AWEZNQCLSA-N 1 0 268.401 1.890 20 70 CDIDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Br)cn1 ZINC000160799852 524085448 /nfs/dbraw/zinc/08/54/48/524085448.db2.gz XKYBDWKNDVEASB-SSDOTTSWSA-N 1 0 272.146 1.198 20 70 CDIDRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000161202375 342483401 /nfs/dbraw/zinc/48/34/01/342483401.db2.gz TVBOPQIZICTENY-KGLIPLIRSA-N 1 0 285.432 1.521 20 70 CDIDRO CC1(C)C[C@H]([NH2+]CCCN2CCCC2=O)C(C)(C)O1 ZINC000159566769 361737440 /nfs/dbraw/zinc/73/74/40/361737440.db2.gz AYOJVWLURURZSI-LBPRGKRZSA-N 1 0 268.401 1.935 20 70 CDIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000159672857 361769786 /nfs/dbraw/zinc/76/97/86/361769786.db2.gz WGOYOFSNIUVJKG-YNEHKIRRSA-N 1 0 268.401 1.553 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(C)n2)CC1 ZINC000159715525 361808339 /nfs/dbraw/zinc/80/83/39/361808339.db2.gz XCLOLCALWPKLTM-UHFFFAOYSA-N 1 0 277.372 1.022 20 70 CDIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)n1 ZINC000159797171 361853435 /nfs/dbraw/zinc/85/34/35/361853435.db2.gz MLGOBQZYSXDMHU-CQSZACIVSA-N 1 0 287.363 1.676 20 70 CDIDRO O=C(NCc1ccccc1OC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000161199650 361917680 /nfs/dbraw/zinc/91/76/80/361917680.db2.gz KNYZDLJFGLTEJT-AWEZNQCLSA-N 1 0 274.364 1.986 20 70 CDIDRO Cc1nc(CC(=O)NCC2CC[NH+](C)CC2)c(C)s1 ZINC000159909519 361924059 /nfs/dbraw/zinc/92/40/59/361924059.db2.gz CUSOAMHWVRTOCI-UHFFFAOYSA-N 1 0 281.425 1.760 20 70 CDIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000160199268 362053198 /nfs/dbraw/zinc/05/31/98/362053198.db2.gz JGHBNDHMFOFMJZ-AWEZNQCLSA-N 1 0 264.369 1.951 20 70 CDIDRO [NH3+]Cc1nnnn1CCC12CC3CC(CC(C3)C1)C2 ZINC000216624645 342439364 /nfs/dbraw/zinc/43/93/64/342439364.db2.gz ACAXJOQCCYXORO-UHFFFAOYSA-N 1 0 261.373 1.738 20 70 CDIDRO O=C(c1nccc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000218595796 342439616 /nfs/dbraw/zinc/43/96/16/342439616.db2.gz NSHMSPDZPYZTMM-OCCSQVGLSA-N 1 0 267.332 1.669 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000160269106 365775214 /nfs/dbraw/zinc/77/52/14/365775214.db2.gz ZHRVYSDACPEZBF-SNVBAGLBSA-N 1 0 270.785 1.992 20 70 CDIDRO CN(C(=O)CCOc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159830964 362373275 /nfs/dbraw/zinc/37/32/75/362373275.db2.gz WDYHXPZRNPDDDY-CQSZACIVSA-N 1 0 262.353 1.651 20 70 CDIDRO CN(C(=O)c1cccc2nccnc21)[C@@H](C[NH3+])C1CC1 ZINC000159830298 362373356 /nfs/dbraw/zinc/37/33/56/362373356.db2.gz BLPCHDXMDBORHY-ZDUSSCGKSA-N 1 0 270.336 1.439 20 70 CDIDRO CC(C)CCC[C@@H](C)NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160029389 362387807 /nfs/dbraw/zinc/38/78/07/362387807.db2.gz JWAQIRBNMSIFFF-HIFRSBDPSA-N 1 0 283.460 1.987 20 70 CDIDRO Cc1ccc(CNC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160127037 362395858 /nfs/dbraw/zinc/39/58/58/362395858.db2.gz VIUXMEVYUQSSTO-HNNXBMFYSA-N 1 0 275.396 1.280 20 70 CDIDRO CN(CC(=O)N1CCCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000160001882 282345831 /nfs/dbraw/zinc/34/58/31/282345831.db2.gz ZURAQMMCBCHPAY-MRXNPFEDSA-N 1 0 287.407 1.635 20 70 CDIDRO CCn1nnnc1-c1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000159585861 188433008 /nfs/dbraw/zinc/43/30/08/188433008.db2.gz KSEDGQZFELQKGJ-JTQLQIEISA-N 1 0 288.355 1.154 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2ccc(OC)cc2)C1 ZINC000160475050 188475456 /nfs/dbraw/zinc/47/54/56/188475456.db2.gz XYMPKTMGPHHKFV-CYBMUJFWSA-N 1 0 292.379 1.675 20 70 CDIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035429 188504501 /nfs/dbraw/zinc/50/45/01/188504501.db2.gz WVQUYYIBRTXFOY-LLVKDONJSA-N 1 0 278.352 1.778 20 70 CDIDRO C[C@H](CNC(=O)NCC1(C2CC2)CC1)[N@H+](C)C1CC1 ZINC000159867514 363386178 /nfs/dbraw/zinc/38/61/78/363386178.db2.gz TXMFMEAVHUARRF-LLVKDONJSA-N 1 0 265.401 1.959 20 70 CDIDRO Cc1cc(NC(=O)[C@@H](C)[NH3+])ccc1OC1CCOCC1 ZINC000160939125 356685801 /nfs/dbraw/zinc/68/58/01/356685801.db2.gz PNSFOPZPKQSCSV-LLVKDONJSA-N 1 0 278.352 1.839 20 70 CDIDRO CC(C)CSCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000160760776 361215559 /nfs/dbraw/zinc/21/55/59/361215559.db2.gz MNCLFQBWUQPUAB-GFCCVEGCSA-N 1 0 258.431 1.976 20 70 CDIDRO C[NH2+][C@@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000160513788 283661939 /nfs/dbraw/zinc/66/19/39/283661939.db2.gz LAMLIBWDJOPMPU-ZGVCCVRISA-N 1 0 264.369 1.202 20 70 CDIDRO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161363042 482874545 /nfs/dbraw/zinc/87/45/45/482874545.db2.gz WZDRNTGKPIEUEZ-NWDGAFQWSA-N 1 0 265.357 1.610 20 70 CDIDRO NC(=O)[C@@H]1CCCN1Cc1c(F)cccc1N1CCCC1 ZINC000160371665 363836014 /nfs/dbraw/zinc/83/60/14/363836014.db2.gz LKMIIHGNEPGCOH-HNNXBMFYSA-N 1 0 291.370 1.876 20 70 CDIDRO C[N@@H+]1CC[C@@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160321816 363815944 /nfs/dbraw/zinc/81/59/44/363815944.db2.gz CHZQIAMHAKNGLZ-LURJTMIESA-N 1 0 266.292 1.921 20 70 CDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000160588642 364066644 /nfs/dbraw/zinc/06/66/44/364066644.db2.gz KVXOKPWMYTYAMQ-CHWSQXEVSA-N 1 0 254.374 1.260 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000159390269 364196997 /nfs/dbraw/zinc/19/69/97/364196997.db2.gz SXPWAOWFOOMHQT-MNOVXSKESA-N 1 0 294.351 1.097 20 70 CDIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000159439337 364206511 /nfs/dbraw/zinc/20/65/11/364206511.db2.gz ACYFBUXSKXSQJV-GFCCVEGCSA-N 1 0 286.397 1.573 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000159363928 364191825 /nfs/dbraw/zinc/19/18/25/364191825.db2.gz RUCPCCPSJVDRRW-ZJUUUORDSA-N 1 0 270.760 1.980 20 70 CDIDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160240642 364324273 /nfs/dbraw/zinc/32/42/73/364324273.db2.gz QUMPIYPFDLRPJI-CQSZACIVSA-N 1 0 294.370 1.711 20 70 CDIDRO Cc1cc(NC(=O)[C@H](C)SCCN2CCOCC2)on1 ZINC000159976917 364288736 /nfs/dbraw/zinc/28/87/36/364288736.db2.gz WKRNMOUQHQGHBJ-NSHDSACASA-N 1 0 299.396 1.375 20 70 CDIDRO C[NH2+]C[C@H](C)C(=O)NCCCOc1cccc(OC)c1 ZINC000160203467 364318152 /nfs/dbraw/zinc/31/81/52/364318152.db2.gz GBILPFFLQDLHNT-LBPRGKRZSA-N 1 0 280.368 1.436 20 70 CDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3c1cnn3C)CC2 ZINC000160563041 364373568 /nfs/dbraw/zinc/37/35/68/364373568.db2.gz FAXXFQHCOBIBQJ-WCQYABFASA-N 1 0 286.383 1.302 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 ZINC000160621675 364382806 /nfs/dbraw/zinc/38/28/06/364382806.db2.gz USZWEEGDWLGNEP-LBPRGKRZSA-N 1 0 285.351 1.010 20 70 CDIDRO CCC(=O)Nc1cccc(C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000160656504 364390857 /nfs/dbraw/zinc/39/08/57/364390857.db2.gz QRNIPBYOZWVPQX-ZDUSSCGKSA-N 1 0 275.352 1.469 20 70 CDIDRO CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[nH]n1 ZINC000160409219 364347886 /nfs/dbraw/zinc/34/78/86/364347886.db2.gz NFSXPSVDKQSIEH-CYBMUJFWSA-N 1 0 278.400 1.822 20 70 CDIDRO CCCN(CCO)Cc1c(CC)nn(C)c1Cl ZINC000161196960 364462617 /nfs/dbraw/zinc/46/26/17/364462617.db2.gz WUAPYWYILLRELM-UHFFFAOYSA-N 1 0 259.781 1.840 20 70 CDIDRO COc1cc(F)c(C(=O)NCCC[NH+](C)C)cc1OC ZINC000161202185 364462837 /nfs/dbraw/zinc/46/28/37/364462837.db2.gz XVMYGKAKYYKFMP-UHFFFAOYSA-N 1 0 284.331 1.524 20 70 CDIDRO CCC[N@H+](CCO)Cc1cn(C)nc1-c1ccncc1 ZINC000161229399 364467635 /nfs/dbraw/zinc/46/76/35/364467635.db2.gz KFJVIHHPVQTYKG-UHFFFAOYSA-N 1 0 274.368 1.686 20 70 CDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000161389295 364488544 /nfs/dbraw/zinc/48/85/44/364488544.db2.gz NMHDLGOQCWZYRY-CYBMUJFWSA-N 1 0 295.408 1.688 20 70 CDIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161410089 364489164 /nfs/dbraw/zinc/48/91/64/364489164.db2.gz WMSQWAYPWVIRDC-FMKPAKJESA-N 1 0 290.407 1.957 20 70 CDIDRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC(C)(C)C ZINC000160315332 365070260 /nfs/dbraw/zinc/07/02/60/365070260.db2.gz MDRILQDYLSYBCM-UHFFFAOYSA-N 1 0 281.400 1.829 20 70 CDIDRO CC1(C)[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000161107751 367034861 /nfs/dbraw/zinc/03/48/61/367034861.db2.gz FSSMUWKPUTZTFW-DGAVXFQQSA-N 1 0 274.364 1.616 20 70 CDIDRO C[C@H](CNC(=O)c1ccc(C(N)=S)cc1)[N@H+](C)C1CC1 ZINC000218157189 367261457 /nfs/dbraw/zinc/26/14/57/367261457.db2.gz GOYFYSKMYSZOLT-SNVBAGLBSA-N 1 0 291.420 1.533 20 70 CDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSCc2ccccn2)C1 ZINC000161424769 373704678 /nfs/dbraw/zinc/70/46/78/373704678.db2.gz LGNLRKMERMQSNL-VXGBXAGGSA-N 1 0 279.409 1.701 20 70 CDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000218117048 373741306 /nfs/dbraw/zinc/74/13/06/373741306.db2.gz SJVDAAXRMJUNCC-AWEZNQCLSA-N 1 0 294.395 1.111 20 70 CDIDRO [NH3+][C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000160321428 139911156 /nfs/dbraw/zinc/91/11/56/139911156.db2.gz HXHGOBBDBVDLFW-SECBINFHSA-N 1 0 263.322 1.576 20 70 CDIDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCC[NH+]1CCCCC1 ZINC000161358796 296220347 /nfs/dbraw/zinc/22/03/47/296220347.db2.gz VXNVRDRDTQEUJC-KBPBESRZSA-N 1 0 290.473 1.616 20 70 CDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC=CCC1 ZINC000160546492 377084767 /nfs/dbraw/zinc/08/47/67/377084767.db2.gz FHHPTEFPVZRVKD-CQSZACIVSA-N 1 0 266.385 1.163 20 70 CDIDRO Cc1cc(C)cc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160663166 377099082 /nfs/dbraw/zinc/09/90/82/377099082.db2.gz KMMVCZLKWQJHOI-UHFFFAOYSA-N 1 0 290.407 1.738 20 70 CDIDRO CC(C)(C)CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160673870 377100251 /nfs/dbraw/zinc/10/02/51/377100251.db2.gz ZCESZLQOKKGBKH-UHFFFAOYSA-N 1 0 256.390 1.243 20 70 CDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000159935119 285215963 /nfs/dbraw/zinc/21/59/63/285215963.db2.gz LDFKDZBVQJYDPM-XJKSGUPXSA-N 1 0 297.443 1.927 20 70 CDIDRO CO[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000161137747 391350095 /nfs/dbraw/zinc/35/00/95/391350095.db2.gz DEXCYUDPVPZONC-WDEREUQCSA-N 1 0 283.759 1.313 20 70 CDIDRO [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000160386584 391509359 /nfs/dbraw/zinc/50/93/59/391509359.db2.gz BWTIANLAJDQKAG-GFCCVEGCSA-N 1 0 290.338 1.738 20 70 CDIDRO COC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)o1 ZINC000218134916 140164908 /nfs/dbraw/zinc/16/49/08/140164908.db2.gz YBWFHBBXAKKWQT-STQMWFEESA-N 1 0 278.352 1.783 20 70 CDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H](C)O ZINC000160943896 260175410 /nfs/dbraw/zinc/17/54/10/260175410.db2.gz MCTIFUFCDKTQNY-HUUCEWRRSA-N 1 0 299.459 1.909 20 70 CDIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCCOCC1CCOCC1 ZINC000160581317 277248897 /nfs/dbraw/zinc/24/88/97/277248897.db2.gz KMYILZVEROONBR-CYBMUJFWSA-N 1 0 286.416 1.309 20 70 CDIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)C[NH+](C)C ZINC000160647356 277591989 /nfs/dbraw/zinc/59/19/89/277591989.db2.gz PZVHPIGYGUMEIB-AAEUAGOBSA-N 1 0 250.342 1.176 20 70 CDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000159382750 278393739 /nfs/dbraw/zinc/39/37/39/278393739.db2.gz YJKZZMKWGWRDAU-ZJUUUORDSA-N 1 0 297.330 1.175 20 70 CDIDRO Cc1noc2nc(C)cc(C(=O)N3CC[C@@H]([NH3+])C3)c12 ZINC000160260423 279258853 /nfs/dbraw/zinc/25/88/53/279258853.db2.gz BQDRKPSXZWZKTR-SECBINFHSA-N 1 0 260.297 1.013 20 70 CDIDRO O=C(Nc1ccc(F)c(F)c1F)N1CC[NH2+]CC1 ZINC000217309086 280088366 /nfs/dbraw/zinc/08/83/66/280088366.db2.gz DMOCNRADPOQEJS-UHFFFAOYSA-N 1 0 259.231 1.541 20 70 CDIDRO CN(C(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000159782617 292769551 /nfs/dbraw/zinc/76/95/51/292769551.db2.gz UEWDCIUSEWOTMG-MXPWBENCSA-N 1 0 288.347 1.624 20 70 CDIDRO CC(C)(CNC(=O)N1CCC[C@](C)(O)C1)[NH+]1CCCCC1 ZINC000159843906 292771522 /nfs/dbraw/zinc/77/15/22/292771522.db2.gz ABCBUNPHUPSSJA-INIZCTEOSA-N 1 0 297.443 1.807 20 70 CDIDRO CC(=O)Nc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000160861681 482832628 /nfs/dbraw/zinc/83/26/28/482832628.db2.gz IGWDVTHMOAIDBT-RYUDHWBXSA-N 1 0 293.342 1.784 20 70 CDIDRO CCOc1ccccc1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161169509 482866477 /nfs/dbraw/zinc/86/64/77/482866477.db2.gz JSYMLEMUYLSLFY-QWHCGFSZSA-N 1 0 292.379 1.850 20 70 CDIDRO COc1ccc(OC)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161362367 482874808 /nfs/dbraw/zinc/87/48/08/482874808.db2.gz WCFSOPPGYBMHAZ-MNOVXSKESA-N 1 0 278.352 1.704 20 70 CDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)c2ccccc2F)C1 ZINC000160763596 522501007 /nfs/dbraw/zinc/50/10/07/522501007.db2.gz RSAWXTTYGMFNBU-QWRGUYRKSA-N 1 0 250.317 1.750 20 70 CDIDRO COC1(C(=O)NC[C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000160736880 522549703 /nfs/dbraw/zinc/54/97/03/522549703.db2.gz CSDFPHGVTWPTFE-AWEZNQCLSA-N 1 0 290.407 1.983 20 70 CDIDRO C[C@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000161188467 524825129 /nfs/dbraw/zinc/82/51/29/524825129.db2.gz LZGOIDVPFUBZDU-RCOVLWMOSA-N 1 0 264.222 1.893 20 70 CDIDRO CCC(CC)n1nccc1C(=O)NCC[NH+](C)C ZINC000160560845 528913742 /nfs/dbraw/zinc/91/37/42/528913742.db2.gz JWYOOYKEEPGVAD-UHFFFAOYSA-N 1 0 252.362 1.536 20 70 CDIDRO CC[C@@H](C(=O)NCC1([NH3+])CCCCC1)N1CCCC1=O ZINC000159547265 529281892 /nfs/dbraw/zinc/28/18/92/529281892.db2.gz ATMKNNJDARNGES-LBPRGKRZSA-N 1 0 281.400 1.165 20 70 CDIDRO