smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000159436954 206245927 /nfs/dbraw/zinc/24/59/27/206245927.db2.gz MFNNNRHISGBEPI-MRXNPFEDSA-N 1 1 334.485 3.064 10 70 EGIEMO CC(C)OC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161180758 206333495 /nfs/dbraw/zinc/33/34/95/206333495.db2.gz LKIVSGXVDAOFIA-HUUCEWRRSA-N 1 1 345.361 3.155 10 70 EGIEMO CC(C)OC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161180758 206333497 /nfs/dbraw/zinc/33/34/97/206333497.db2.gz LKIVSGXVDAOFIA-HUUCEWRRSA-N 1 1 345.361 3.155 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1nccs1 ZINC000161100620 307898674 /nfs/dbraw/zinc/89/86/74/307898674.db2.gz NOLILSDWBDXBQF-WFASDCNBSA-N 1 1 335.448 3.370 10 70 EGIEMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159540415 455384018 /nfs/dbraw/zinc/38/40/18/455384018.db2.gz RMFFJFTWGNXZCB-HZMBPMFUSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159540415 455384022 /nfs/dbraw/zinc/38/40/22/455384022.db2.gz RMFFJFTWGNXZCB-HZMBPMFUSA-N 1 1 338.249 3.061 10 70 EGIEMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCCC(C)C ZINC000159620232 455390417 /nfs/dbraw/zinc/39/04/17/455390417.db2.gz SOJZDFOTHBAUNH-RDJZCZTQSA-N 1 1 348.487 3.206 10 70 EGIEMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540415 455384031 /nfs/dbraw/zinc/38/40/31/455384031.db2.gz RMFFJFTWGNXZCB-HZMBPMFUSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540415 455384034 /nfs/dbraw/zinc/38/40/34/455384034.db2.gz RMFFJFTWGNXZCB-HZMBPMFUSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000159567945 455385805 /nfs/dbraw/zinc/38/58/05/455385805.db2.gz DALMKRAIXFDBGI-UWVGGRQHSA-N 1 1 345.668 3.188 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000159567945 455385809 /nfs/dbraw/zinc/38/58/09/455385809.db2.gz DALMKRAIXFDBGI-UWVGGRQHSA-N 1 1 345.668 3.188 10 70 EGIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607203 455388334 /nfs/dbraw/zinc/38/83/34/455388334.db2.gz LOZJTDWVVTZSMN-WBVHZDCISA-N 1 1 348.450 3.111 10 70 EGIEMO CCOc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OCC(C)C ZINC000159696036 455396266 /nfs/dbraw/zinc/39/62/66/455396266.db2.gz CJPOISWJCMYCGT-RDJZCZTQSA-N 1 1 348.487 3.206 10 70 EGIEMO CC[C@H]1CN(Cc2ncc(-c3ccccc3)s2)CC[N@H+]1C[C@@H](C)O ZINC000159914926 455415468 /nfs/dbraw/zinc/41/54/68/455415468.db2.gz HIBXGHDDXKXTGB-WBVHZDCISA-N 1 1 345.512 3.087 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000160246784 455442100 /nfs/dbraw/zinc/44/21/00/455442100.db2.gz BTNHQQYGVHYMOF-SJLPKXTDSA-N 1 1 347.503 3.085 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160304409 455446052 /nfs/dbraw/zinc/44/60/52/455446052.db2.gz MVVQNLYNWFMPNC-ZWKOTPCHSA-N 1 1 336.520 3.020 10 70 EGIEMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)n3C)C2)cc1 ZINC000160896297 455510899 /nfs/dbraw/zinc/51/08/99/455510899.db2.gz KXEQIDDTCIQVFY-SFHVURJKSA-N 1 1 348.450 3.480 10 70 EGIEMO CCCCn1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1C ZINC000159768296 546941423 /nfs/dbraw/zinc/94/14/23/546941423.db2.gz PJZXTWIDFCTCLI-SJORKVTESA-N 1 1 347.507 3.471 10 70 EGIEMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160842564 546950964 /nfs/dbraw/zinc/95/09/64/546950964.db2.gz GPWPGUKOYPKBLS-PBFPGSCMSA-N 1 1 333.457 3.486 10 70 EGIEMO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160842564 546950969 /nfs/dbraw/zinc/95/09/69/546950969.db2.gz GPWPGUKOYPKBLS-PBFPGSCMSA-N 1 1 333.457 3.486 10 70 EGIEMO COc1ccc(OC)c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000216741118 574770491 /nfs/dbraw/zinc/77/04/91/574770491.db2.gz XWAJGYSQSPQMGH-LJQANCHMSA-N 1 1 326.440 3.193 10 70 EGIEMO c1ccc(-c2noc(CCC[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000159627965 206255926 /nfs/dbraw/zinc/25/59/26/206255926.db2.gz KFHCVEKQBHHIFS-IRXDYDNUSA-N 1 1 327.428 3.313 10 70 EGIEMO CCOCCCN1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159764572 206262330 /nfs/dbraw/zinc/26/23/30/206262330.db2.gz QCDRPBSDODCUOV-YLJYHZDGSA-N 1 1 336.495 3.485 10 70 EGIEMO CC1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000161130368 206329703 /nfs/dbraw/zinc/32/97/03/206329703.db2.gz VEZPLTOQWXEBGX-AYHJJNSGSA-N 1 1 327.472 3.424 10 70 EGIEMO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000160919897 455513455 /nfs/dbraw/zinc/51/34/55/455513455.db2.gz RNXYNRIIDBABAO-CYBMUJFWSA-N 1 1 338.249 3.061 10 70 EGIEMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000160919897 455513460 /nfs/dbraw/zinc/51/34/60/455513460.db2.gz RNXYNRIIDBABAO-CYBMUJFWSA-N 1 1 338.249 3.061 10 70 EGIEMO CCc1ccc([C@@H](C)NCc2ccc(N3CC[NH+](CC)CC3)nc2)o1 ZINC000159541915 455384138 /nfs/dbraw/zinc/38/41/38/455384138.db2.gz XGINLIZPZCGBAN-MRXNPFEDSA-N 1 1 342.487 3.230 10 70 EGIEMO O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)[nH]c2sc3c(c21)CCC3 ZINC000159649511 455392434 /nfs/dbraw/zinc/39/24/34/455392434.db2.gz YWFHEGDTZLKFGH-AAEUAGOBSA-N 1 1 329.469 3.238 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(-n2ccnc2)nc1 ZINC000159799275 455404743 /nfs/dbraw/zinc/40/47/43/455404743.db2.gz DEYDPRJODCYUGB-UHFFFAOYSA-N 1 1 327.457 3.177 10 70 EGIEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159463765 455378244 /nfs/dbraw/zinc/37/82/44/455378244.db2.gz RIODCYAXOSGGTB-LJQANCHMSA-N 1 1 344.478 3.354 10 70 EGIEMO COc1ccccc1[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160470437 455463406 /nfs/dbraw/zinc/46/34/06/455463406.db2.gz YAIJWPSVKHNJOJ-DLBZAZTESA-N 1 1 332.488 3.425 10 70 EGIEMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919897 455513454 /nfs/dbraw/zinc/51/34/54/455513454.db2.gz RNXYNRIIDBABAO-CYBMUJFWSA-N 1 1 338.249 3.061 10 70 EGIEMO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)[C@H]1CCSC1 ZINC000161047919 455526495 /nfs/dbraw/zinc/52/64/95/455526495.db2.gz UXCLUJVHKFHBQI-JTQLQIEISA-N 1 1 326.263 3.263 10 70 EGIEMO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)[C@H]1CCSC1 ZINC000161047919 455526499 /nfs/dbraw/zinc/52/64/99/455526499.db2.gz UXCLUJVHKFHBQI-JTQLQIEISA-N 1 1 326.263 3.263 10 70 EGIEMO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@H]1CCSC1 ZINC000161047919 455526504 /nfs/dbraw/zinc/52/65/04/455526504.db2.gz UXCLUJVHKFHBQI-JTQLQIEISA-N 1 1 326.263 3.263 10 70 EGIEMO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@H]1CCSC1 ZINC000161047919 455526507 /nfs/dbraw/zinc/52/65/07/455526507.db2.gz UXCLUJVHKFHBQI-JTQLQIEISA-N 1 1 326.263 3.263 10 70 EGIEMO C[N@H+](CCc1ccccn1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161142776 455538941 /nfs/dbraw/zinc/53/89/41/455538941.db2.gz BBSRTZYGFSWPGA-UHFFFAOYSA-N 1 1 345.244 3.395 10 70 EGIEMO C[N@@H+](CCc1ccccn1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161142776 455538948 /nfs/dbraw/zinc/53/89/48/455538948.db2.gz BBSRTZYGFSWPGA-UHFFFAOYSA-N 1 1 345.244 3.395 10 70 EGIEMO COc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c2ccccc12 ZINC000161401608 455566623 /nfs/dbraw/zinc/56/66/23/455566623.db2.gz GRYGLDMWHXEFRI-KSSFIOAISA-N 1 1 326.440 3.307 10 70 EGIEMO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000159633332 206256257 /nfs/dbraw/zinc/25/62/57/206256257.db2.gz FMHAGBDHNPVMKF-ZRGWGRIASA-N 1 1 327.472 3.409 10 70 EGIEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000160123667 206280625 /nfs/dbraw/zinc/28/06/25/206280625.db2.gz KUWQAHQSEIGCTR-CQSZACIVSA-N 1 1 328.378 3.253 10 70 EGIEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000161237561 206337375 /nfs/dbraw/zinc/33/73/75/206337375.db2.gz PZOJRONDJVXIMR-QZTJIDSGSA-N 1 1 338.455 3.408 10 70 EGIEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCc1ccc(F)cc1F ZINC000161366871 206345248 /nfs/dbraw/zinc/34/52/48/206345248.db2.gz PDGQMXWNKAVHKQ-MRXNPFEDSA-N 1 1 333.382 3.094 10 70 EGIEMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000160519761 140961975 /nfs/dbraw/zinc/96/19/75/140961975.db2.gz HYCPCCCEABODOR-MRXNPFEDSA-N 1 1 340.471 3.244 10 70 EGIEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OCCF)c1 ZINC000160555660 307891646 /nfs/dbraw/zinc/89/16/46/307891646.db2.gz JCNAYLDISBRYHU-SFHVURJKSA-N 1 1 330.403 3.146 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1nccs1 ZINC000161092775 307898402 /nfs/dbraw/zinc/89/84/02/307898402.db2.gz ABIJXGYRGQEXCS-WCQYABFASA-N 1 1 349.456 3.228 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NCCOc1cccc(C)c1)c1nccs1 ZINC000161183022 307899883 /nfs/dbraw/zinc/89/98/83/307899883.db2.gz DVGQYTLZDYXMHB-GDBMZVCRSA-N 1 1 347.484 3.076 10 70 EGIEMO Cc1cc(C)cc(OC[C@H](O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159952277 455418588 /nfs/dbraw/zinc/41/85/88/455418588.db2.gz FYKUZNMYGZSGSH-QGZVFWFLSA-N 1 1 348.512 3.453 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C)s3)cn2)CC1 ZINC000159461965 455378420 /nfs/dbraw/zinc/37/84/20/455378420.db2.gz PPIXZEIDRZHKCY-INIZCTEOSA-N 1 1 344.528 3.444 10 70 EGIEMO CC[N@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000159893018 455413469 /nfs/dbraw/zinc/41/34/69/455413469.db2.gz QAMINOHNHVRHKF-WFASDCNBSA-N 1 1 339.842 3.072 10 70 EGIEMO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]1COc2ccccc21 ZINC000160372396 455451781 /nfs/dbraw/zinc/45/17/81/455451781.db2.gz IYWBBZLGULDUAH-YJBOKZPZSA-N 1 1 345.487 3.115 10 70 EGIEMO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000160903029 455512197 /nfs/dbraw/zinc/51/21/97/455512197.db2.gz XXIFGQQDGRUOQF-OAHLLOKOSA-N 1 1 344.459 3.003 10 70 EGIEMO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000160903029 455512203 /nfs/dbraw/zinc/51/22/03/455512203.db2.gz XXIFGQQDGRUOQF-OAHLLOKOSA-N 1 1 344.459 3.003 10 70 EGIEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)no1 ZINC000161048008 455527224 /nfs/dbraw/zinc/52/72/24/455527224.db2.gz AEVJVWKQAMNKIU-MRXNPFEDSA-N 1 1 337.427 3.018 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1nccs1 ZINC000161095683 455532926 /nfs/dbraw/zinc/53/29/26/455532926.db2.gz OTAXYNCVENMHJW-AAEUAGOBSA-N 1 1 349.456 3.228 10 70 EGIEMO CCC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161101378 455534206 /nfs/dbraw/zinc/53/42/06/455534206.db2.gz UGCXIQYYEICLFT-CYBMUJFWSA-N 1 1 329.531 3.445 10 70 EGIEMO CCC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161101378 455534209 /nfs/dbraw/zinc/53/42/09/455534209.db2.gz UGCXIQYYEICLFT-CYBMUJFWSA-N 1 1 329.531 3.445 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1C)c1nccs1 ZINC000161130909 455538040 /nfs/dbraw/zinc/53/80/40/455538040.db2.gz DQWNCGPKTDBULW-GDBMZVCRSA-N 1 1 331.485 3.240 10 70 EGIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152049 455541207 /nfs/dbraw/zinc/54/12/07/455541207.db2.gz RKIFXFKVTMINHF-DNVCBOLYSA-N 1 1 329.419 3.138 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000161427994 455569408 /nfs/dbraw/zinc/56/94/08/455569408.db2.gz HVINJIAAXCCZRW-CQSZACIVSA-N 1 1 349.276 3.440 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000161426311 455569447 /nfs/dbraw/zinc/56/94/47/455569447.db2.gz HQWVPEGFPCFOLP-KRWDZBQOSA-N 1 1 328.460 3.173 10 70 EGIEMO Fc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000217827579 456033939 /nfs/dbraw/zinc/03/39/39/456033939.db2.gz ROQIJIQZTGGXLN-CABCVRRESA-N 1 1 327.241 3.305 10 70 EGIEMO Fc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)ccc1Br ZINC000217827579 456033943 /nfs/dbraw/zinc/03/39/43/456033943.db2.gz ROQIJIQZTGGXLN-CABCVRRESA-N 1 1 327.241 3.305 10 70 EGIEMO Cc1cccc([C@H]2CCCN2C[C@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000159792551 546941726 /nfs/dbraw/zinc/94/17/26/546941726.db2.gz NVUOWQLMTOGVRX-TZIWHRDSSA-N 1 1 339.483 3.020 10 70 EGIEMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CN(C)Cc2ccccc2)n1 ZINC000159792551 546941731 /nfs/dbraw/zinc/94/17/31/546941731.db2.gz NVUOWQLMTOGVRX-TZIWHRDSSA-N 1 1 339.483 3.020 10 70 EGIEMO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)CN(C)Cc2ccccc2)n1 ZINC000159792551 546941733 /nfs/dbraw/zinc/94/17/33/546941733.db2.gz NVUOWQLMTOGVRX-TZIWHRDSSA-N 1 1 339.483 3.020 10 70 EGIEMO COC(=O)c1cccc(OCC[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159749201 455400211 /nfs/dbraw/zinc/40/02/11/455400211.db2.gz HRFLTLHJRJIPLC-UHFFFAOYSA-N 1 1 348.468 3.262 10 70 EGIEMO COCCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC000160370406 455452100 /nfs/dbraw/zinc/45/21/00/455452100.db2.gz WKAULWDIOYFIHH-QGZVFWFLSA-N 1 1 339.524 3.003 10 70 EGIEMO Cc1cccc(C)c1OC[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159912783 455414121 /nfs/dbraw/zinc/41/41/21/455414121.db2.gz IAAOLVAEJFJCGC-QGZVFWFLSA-N 1 1 348.512 3.453 10 70 EGIEMO OCCn1nccc1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000160559101 455473703 /nfs/dbraw/zinc/47/37/03/455473703.db2.gz CSAROJWVWUDADW-UHFFFAOYSA-N 1 1 337.826 3.048 10 70 EGIEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000161289275 455555917 /nfs/dbraw/zinc/55/59/17/455555917.db2.gz ONENVXPBMPHKAM-QRWLVFNGSA-N 1 1 325.456 3.238 10 70 EGIEMO C[N@@H+]1CCN(Cc2nc(C3CCCC3)no2)[C@H](c2ccccc2)C1 ZINC000161331872 455559728 /nfs/dbraw/zinc/55/97/28/455559728.db2.gz RVHUSGJSTCBLDM-KRWDZBQOSA-N 1 1 326.444 3.216 10 70 EGIEMO C[N@H+]1CCN(Cc2nc(C3CCCC3)no2)[C@H](c2ccccc2)C1 ZINC000161331872 455559731 /nfs/dbraw/zinc/55/97/31/455559731.db2.gz RVHUSGJSTCBLDM-KRWDZBQOSA-N 1 1 326.444 3.216 10 70 EGIEMO COc1ccccc1CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000216905820 456031555 /nfs/dbraw/zinc/03/15/55/456031555.db2.gz AWEGPPVLTXVWMJ-FUHWJXTLSA-N 1 1 332.488 3.207 10 70 EGIEMO COc1ccccc1CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000216905820 456031557 /nfs/dbraw/zinc/03/15/57/456031557.db2.gz AWEGPPVLTXVWMJ-FUHWJXTLSA-N 1 1 332.488 3.207 10 70 EGIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1F ZINC000161366724 206344550 /nfs/dbraw/zinc/34/45/50/206344550.db2.gz PDGQMXWNKAVHKQ-INIZCTEOSA-N 1 1 333.382 3.094 10 70 EGIEMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159746733 455400235 /nfs/dbraw/zinc/40/02/35/455400235.db2.gz FJXBQHQOVBMFKX-HNNXBMFYSA-N 1 1 325.522 3.289 10 70 EGIEMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159540833 455383901 /nfs/dbraw/zinc/38/39/01/455383901.db2.gz RMFFJFTWGNXZCB-QMTHXVAHSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159540833 455383906 /nfs/dbraw/zinc/38/39/06/455383906.db2.gz RMFFJFTWGNXZCB-QMTHXVAHSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540833 455383916 /nfs/dbraw/zinc/38/39/16/455383916.db2.gz RMFFJFTWGNXZCB-QMTHXVAHSA-N 1 1 338.249 3.061 10 70 EGIEMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540833 455383921 /nfs/dbraw/zinc/38/39/21/455383921.db2.gz RMFFJFTWGNXZCB-QMTHXVAHSA-N 1 1 338.249 3.061 10 70 EGIEMO Cc1[nH+]ccn1-c1cncc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160573797 455475420 /nfs/dbraw/zinc/47/54/20/455475420.db2.gz IAGWGLZKOPLHLL-IAGOWNOFSA-N 1 1 335.411 3.303 10 70 EGIEMO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1cccc(Cl)c1 ZINC000160921828 455514166 /nfs/dbraw/zinc/51/41/66/455514166.db2.gz KDKOMXLCPXNADS-LSBZLQRGSA-N 1 1 348.874 3.072 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000161338476 455560893 /nfs/dbraw/zinc/56/08/93/455560893.db2.gz FYDNXDRCOUDZJR-CQSZACIVSA-N 1 1 349.276 3.440 10 70 EGIEMO CCOC(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028069 206323805 /nfs/dbraw/zinc/32/38/05/206323805.db2.gz LJLVNQOYXMAKHP-LSDHHAIUSA-N 1 1 345.361 3.156 10 70 EGIEMO CCOC(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028069 206323809 /nfs/dbraw/zinc/32/38/09/206323809.db2.gz LJLVNQOYXMAKHP-LSDHHAIUSA-N 1 1 345.361 3.156 10 70 EGIEMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196802 206333982 /nfs/dbraw/zinc/33/39/82/206333982.db2.gz FTSDLPSPAMWJFC-YOEHRIQHSA-N 1 1 333.476 3.179 10 70 EGIEMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196802 206333987 /nfs/dbraw/zinc/33/39/87/206333987.db2.gz FTSDLPSPAMWJFC-YOEHRIQHSA-N 1 1 333.476 3.179 10 70 EGIEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160775621 275195959 /nfs/dbraw/zinc/19/59/59/275195959.db2.gz DYVYBHQQNJZBAA-GOSISDBHSA-N 1 1 329.488 3.135 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1nccs1 ZINC000161100377 307898691 /nfs/dbraw/zinc/89/86/91/307898691.db2.gz VZBYBEJBKCRJJH-FMKPAKJESA-N 1 1 331.485 3.492 10 70 EGIEMO Cc1cc(F)cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000159512517 455381500 /nfs/dbraw/zinc/38/15/00/455381500.db2.gz IGNFTKHOZUJQCV-UHFFFAOYSA-N 1 1 330.407 3.354 10 70 EGIEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702199 455397825 /nfs/dbraw/zinc/39/78/25/455397825.db2.gz VFUAYBYFAGAYMN-KOLCDFICSA-N 1 1 332.778 3.027 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cccs3)cn2)CC1 ZINC000159496194 455380476 /nfs/dbraw/zinc/38/04/76/455380476.db2.gz RZLYFKCZJCEVEG-OAHLLOKOSA-N 1 1 330.501 3.136 10 70 EGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572927 455386550 /nfs/dbraw/zinc/38/65/50/455386550.db2.gz FBLKWJLMBJCGAP-NWDGAFQWSA-N 1 1 334.366 3.311 10 70 EGIEMO Cc1cccc2nc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)[nH]c21 ZINC000160433314 455457743 /nfs/dbraw/zinc/45/77/43/455457743.db2.gz UPSPXOQXJDEBQK-UHFFFAOYSA-N 1 1 348.450 3.397 10 70 EGIEMO COc1cccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160548376 455472961 /nfs/dbraw/zinc/47/29/61/455472961.db2.gz DHICODRWOMJQAU-FUHWJXTLSA-N 1 1 332.488 3.425 10 70 EGIEMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160996613 455521971 /nfs/dbraw/zinc/52/19/71/455521971.db2.gz WPQJJURXZNUTFN-FBBABVLZSA-N 1 1 344.499 3.051 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1OC)c1nccs1 ZINC000161140176 455539415 /nfs/dbraw/zinc/53/94/15/455539415.db2.gz UYOWZBSRBIULLV-GUTXKFCHSA-N 1 1 347.484 3.458 10 70 EGIEMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000160150897 206281830 /nfs/dbraw/zinc/28/18/30/206281830.db2.gz YWSPDXHVTAJCBJ-QGZVFWFLSA-N 1 1 344.499 3.438 10 70 EGIEMO C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000160276330 206287381 /nfs/dbraw/zinc/28/73/81/206287381.db2.gz NQCCDYHGDOFRGL-DLTWYDFYSA-N 1 1 331.460 3.378 10 70 EGIEMO O=C(NCCC1=CCCC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000161186574 206334157 /nfs/dbraw/zinc/33/41/57/206334157.db2.gz MPJBVCYRJQAXDF-UHFFFAOYSA-N 1 1 343.471 3.183 10 70 EGIEMO COc1cccc([C@H]2C[C@@H]2C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160406266 455455195 /nfs/dbraw/zinc/45/51/95/455455195.db2.gz PIXZMRAEZJIJJK-QRQLOZEOSA-N 1 1 330.472 3.035 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552415 455385267 /nfs/dbraw/zinc/38/52/67/455385267.db2.gz NRFJODXZTUNSMK-UWVGGRQHSA-N 1 1 334.769 3.445 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552415 455385271 /nfs/dbraw/zinc/38/52/71/455385271.db2.gz NRFJODXZTUNSMK-UWVGGRQHSA-N 1 1 334.769 3.445 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCCCc1ccccc1 ZINC000159877618 455412376 /nfs/dbraw/zinc/41/23/76/455412376.db2.gz NJQDRSFRVNWOCE-UHFFFAOYSA-N 1 1 345.512 3.145 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159878226 455412501 /nfs/dbraw/zinc/41/25/01/455412501.db2.gz YSXJRSXRHRRBCR-CVEARBPZSA-N 1 1 337.533 3.433 10 70 EGIEMO COc1ccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159928028 455416438 /nfs/dbraw/zinc/41/64/38/455416438.db2.gz GIRDEITWUYYFPT-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO COc1ccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000159928028 455416441 /nfs/dbraw/zinc/41/64/41/455416441.db2.gz GIRDEITWUYYFPT-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COCc2ccccc2)n1 ZINC000160108919 455429532 /nfs/dbraw/zinc/42/95/32/455429532.db2.gz SFLVCIGHHHMVSO-ICSRJNTNSA-N 1 1 326.440 3.105 10 70 EGIEMO c1cn(Cc2ccccc2)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000160906836 455512171 /nfs/dbraw/zinc/51/21/71/455512171.db2.gz LMYNEQBRHWUAKM-IBGZPJMESA-N 1 1 347.466 3.260 10 70 EGIEMO c1cn(Cc2ccccc2)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000160906836 455512174 /nfs/dbraw/zinc/51/21/74/455512174.db2.gz LMYNEQBRHWUAKM-IBGZPJMESA-N 1 1 347.466 3.260 10 70 EGIEMO CCc1ccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000161075277 546953290 /nfs/dbraw/zinc/95/32/90/546953290.db2.gz NWMKURUGMQXAPI-YLJYHZDGSA-N 1 1 341.455 3.426 10 70 EGIEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000160948517 206319689 /nfs/dbraw/zinc/31/96/89/206319689.db2.gz SYPDVSKFGCHBHI-SQGPQFPESA-N 1 1 330.472 3.257 10 70 EGIEMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N(Cc1ccco1)C1CCCC1 ZINC000160732919 455492954 /nfs/dbraw/zinc/49/29/54/455492954.db2.gz UYZOKESQJZZHGX-INIZCTEOSA-N 1 1 331.460 3.218 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572815 455386308 /nfs/dbraw/zinc/38/63/08/455386308.db2.gz FBLKWJLMBJCGAP-VXGBXAGGSA-N 1 1 334.366 3.311 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000159618676 455390030 /nfs/dbraw/zinc/39/00/30/455390030.db2.gz FBEIAKLBFNCVJK-NXEZZACHSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000159618676 455390036 /nfs/dbraw/zinc/39/00/36/455390036.db2.gz FBEIAKLBFNCVJK-NXEZZACHSA-N 1 1 331.243 3.088 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cn1 ZINC000159739977 455399697 /nfs/dbraw/zinc/39/96/97/455399697.db2.gz KESXBOMKJCGSCU-UHFFFAOYSA-N 1 1 338.864 3.083 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cn1 ZINC000159739977 455399703 /nfs/dbraw/zinc/39/97/03/455399703.db2.gz KESXBOMKJCGSCU-UHFFFAOYSA-N 1 1 338.864 3.083 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160304518 455446332 /nfs/dbraw/zinc/44/63/32/455446332.db2.gz MVVQNLYNWFMPNC-ROUUACIJSA-N 1 1 336.520 3.020 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1OC(F)F ZINC000160590229 455478364 /nfs/dbraw/zinc/47/83/64/455478364.db2.gz VGTBHHSFUYNAGM-OAHLLOKOSA-N 1 1 340.414 3.067 10 70 EGIEMO COc1ccc(-c2cnc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160618239 455480810 /nfs/dbraw/zinc/48/08/10/455480810.db2.gz HMWAHPSSACLVJO-OXQOHEQNSA-N 1 1 342.439 3.477 10 70 EGIEMO Cc1cnc(CC[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)s1 ZINC000161026454 455524655 /nfs/dbraw/zinc/52/46/55/455524655.db2.gz ZBTXJMVFKZRHFP-UHFFFAOYSA-N 1 1 337.533 3.211 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCCOc1cccc(C)c1)c1nccs1 ZINC000161182695 455545879 /nfs/dbraw/zinc/54/58/79/455545879.db2.gz DVGQYTLZDYXMHB-HOCLYGCPSA-N 1 1 347.484 3.076 10 70 EGIEMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192661 455547017 /nfs/dbraw/zinc/54/70/17/455547017.db2.gz CKTXEJDAGVYBAJ-GOEBONIOSA-N 1 1 347.894 3.446 10 70 EGIEMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192661 455547024 /nfs/dbraw/zinc/54/70/24/455547024.db2.gz CKTXEJDAGVYBAJ-GOEBONIOSA-N 1 1 347.894 3.446 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@H](CNc2ncncc2Br)C1 ZINC000161306649 455557057 /nfs/dbraw/zinc/55/70/57/455557057.db2.gz JRPKGNQRKMARJA-GFCCVEGCSA-N 1 1 327.270 3.019 10 70 EGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000161400343 455567127 /nfs/dbraw/zinc/56/71/27/455567127.db2.gz BWDQBVIVAWYPKG-APWZRJJASA-N 1 1 329.488 3.135 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc2ccccc21 ZINC000160231522 529846311 /nfs/dbraw/zinc/84/63/11/529846311.db2.gz ZGAZEASRXLICBV-UHFFFAOYSA-N 1 1 340.467 3.270 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1C)c1nccs1 ZINC000161130778 307898882 /nfs/dbraw/zinc/89/88/82/307898882.db2.gz DQWNCGPKTDBULW-ZBFHGGJFSA-N 1 1 331.485 3.240 10 70 EGIEMO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000159631448 455391648 /nfs/dbraw/zinc/39/16/48/455391648.db2.gz AYVBHKOXZCLYEG-KXBFYZLASA-N 1 1 341.499 3.484 10 70 EGIEMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)n3C)C2)cc1 ZINC000160896436 455510801 /nfs/dbraw/zinc/51/08/01/455510801.db2.gz KXEQIDDTCIQVFY-GOSISDBHSA-N 1 1 348.450 3.480 10 70 EGIEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000161123208 455537554 /nfs/dbraw/zinc/53/75/54/455537554.db2.gz FGUZNWWKMCWALX-SQGPQFPESA-N 1 1 330.472 3.257 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000161271126 455554499 /nfs/dbraw/zinc/55/44/99/455554499.db2.gz VCSFDQJSDZDJMA-HNNXBMFYSA-N 1 1 339.418 3.365 10 70 EGIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2NC(=O)C(C)(C)C)[C@@H](C)C1 ZINC000161303498 455557216 /nfs/dbraw/zinc/55/72/16/455557216.db2.gz XXBGTKKOWYPIFH-YOEHRIQHSA-N 1 1 345.487 3.130 10 70 EGIEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000161408529 455567580 /nfs/dbraw/zinc/56/75/80/455567580.db2.gz MBYLQXKOQPBWMR-SCLBCKFNSA-N 1 1 344.434 3.344 10 70 EGIEMO CC[N@@H+](CCc1nccs1)C[C@H](O)COc1c(C)cccc1C ZINC000159385304 528607382 /nfs/dbraw/zinc/60/73/82/528607382.db2.gz QSTRERFPTHBECG-INIZCTEOSA-N 1 1 334.485 3.064 10 70 EGIEMO O=C(C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)NCc1ccco1 ZINC000159944704 307882324 /nfs/dbraw/zinc/88/23/24/307882324.db2.gz TVGXYKIVZQUPCS-UHFFFAOYSA-N 1 1 346.736 3.358 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1nccs1 ZINC000161092909 307898399 /nfs/dbraw/zinc/89/83/99/307898399.db2.gz ABIJXGYRGQEXCS-YPMHNXCESA-N 1 1 349.456 3.228 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000159482119 455379685 /nfs/dbraw/zinc/37/96/85/455379685.db2.gz SEDPLBZIAVRFTI-FQEVSTJZSA-N 1 1 338.451 3.191 10 70 EGIEMO Cc1ccc(OC[C@@H](O)C[N@H+](CCc2nccs2)C(C)C)c(C)c1 ZINC000159892643 455413684 /nfs/dbraw/zinc/41/36/84/455413684.db2.gz XFMKILPAXDIADC-KRWDZBQOSA-N 1 1 348.512 3.453 10 70 EGIEMO COc1ccc2c(CC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)coc2c1 ZINC000160454479 455461540 /nfs/dbraw/zinc/46/15/40/455461540.db2.gz BFXXVVNZRNRQNM-MRXNPFEDSA-N 1 1 344.455 3.221 10 70 EGIEMO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160720992 455492090 /nfs/dbraw/zinc/49/20/90/455492090.db2.gz KAFNLGTWJVCWPC-RDTXWAMCSA-N 1 1 346.862 3.048 10 70 EGIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160720992 455492096 /nfs/dbraw/zinc/49/20/96/455492096.db2.gz KAFNLGTWJVCWPC-RDTXWAMCSA-N 1 1 346.862 3.048 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000161092539 455532609 /nfs/dbraw/zinc/53/26/09/455532609.db2.gz NWJIJGMTODHLAO-NOZJJQNGSA-N 1 1 325.384 3.489 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552554 274310624 /nfs/dbraw/zinc/31/06/24/274310624.db2.gz NRFJODXZTUNSMK-NXEZZACHSA-N 1 1 334.769 3.445 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552554 274310625 /nfs/dbraw/zinc/31/06/25/274310625.db2.gz NRFJODXZTUNSMK-NXEZZACHSA-N 1 1 334.769 3.445 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3sccc3C)cn2)CC1 ZINC000159501136 455381616 /nfs/dbraw/zinc/38/16/16/455381616.db2.gz KMFJKQCJPQCNSL-MRXNPFEDSA-N 1 1 344.528 3.444 10 70 EGIEMO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159593114 455387328 /nfs/dbraw/zinc/38/73/28/455387328.db2.gz RSFBKQCDFNRNNC-KBPBESRZSA-N 1 1 330.403 3.480 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CCc2sccc2C1 ZINC000159792906 455405020 /nfs/dbraw/zinc/40/50/20/455405020.db2.gz MZBPLPVUIZAGHR-UHFFFAOYSA-N 1 1 349.525 3.042 10 70 EGIEMO CC[N@H+](CCc1nccs1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000159436081 455377365 /nfs/dbraw/zinc/37/73/65/455377365.db2.gz ALBWHCKLKPNLBH-KRWDZBQOSA-N 1 1 343.496 3.201 10 70 EGIEMO CC[N@@H+](CCc1nccs1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000159436081 455377369 /nfs/dbraw/zinc/37/73/69/455377369.db2.gz ALBWHCKLKPNLBH-KRWDZBQOSA-N 1 1 343.496 3.201 10 70 EGIEMO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000159844109 455408815 /nfs/dbraw/zinc/40/88/15/455408815.db2.gz WYBADPISMKWRTH-UHFFFAOYSA-N 1 1 340.471 3.020 10 70 EGIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159844109 455408816 /nfs/dbraw/zinc/40/88/16/455408816.db2.gz WYBADPISMKWRTH-UHFFFAOYSA-N 1 1 340.471 3.020 10 70 EGIEMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000159844109 455408819 /nfs/dbraw/zinc/40/88/19/455408819.db2.gz WYBADPISMKWRTH-UHFFFAOYSA-N 1 1 340.471 3.020 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCCC1=CCCCC1 ZINC000159845720 455409388 /nfs/dbraw/zinc/40/93/88/455409388.db2.gz NXKOXSLTLGAWLU-UHFFFAOYSA-N 1 1 335.517 3.403 10 70 EGIEMO CCOCCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160155018 455432476 /nfs/dbraw/zinc/43/24/76/455432476.db2.gz DSLUDSHMQDPWOQ-OAHLLOKOSA-N 1 1 333.407 3.482 10 70 EGIEMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000160890294 455509088 /nfs/dbraw/zinc/50/90/88/455509088.db2.gz KALLMTKDESBMFN-QGZVFWFLSA-N 1 1 338.455 3.374 10 70 EGIEMO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2noc(-c3ccsc3)n2)C1 ZINC000160893635 455509226 /nfs/dbraw/zinc/50/92/26/455509226.db2.gz UCTPEYGOHRQZTQ-SJCJKPOMSA-N 1 1 335.473 3.465 10 70 EGIEMO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000160924488 455514000 /nfs/dbraw/zinc/51/40/00/455514000.db2.gz VFRHRXGUXRDKDG-XLIONFOSSA-N 1 1 341.455 3.096 10 70 EGIEMO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000160924488 455514003 /nfs/dbraw/zinc/51/40/03/455514003.db2.gz VFRHRXGUXRDKDG-XLIONFOSSA-N 1 1 341.455 3.096 10 70 EGIEMO CCCC(O)(CCC)CC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000161452100 455571492 /nfs/dbraw/zinc/57/14/92/455571492.db2.gz PRHZNMOEKRYKFI-INIZCTEOSA-N 1 1 335.492 3.330 10 70 EGIEMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CC)CCc1nccs1 ZINC000159400271 528608909 /nfs/dbraw/zinc/60/89/09/528608909.db2.gz FHWYLKVIXIJINU-UHFFFAOYSA-N 1 1 349.475 3.195 10 70 EGIEMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CC)CCc1nccs1 ZINC000159400271 528608913 /nfs/dbraw/zinc/60/89/13/528608913.db2.gz FHWYLKVIXIJINU-UHFFFAOYSA-N 1 1 349.475 3.195 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000161332493 455560127 /nfs/dbraw/zinc/56/01/27/455560127.db2.gz VJLWZHDWVQDPCJ-AWEZNQCLSA-N 1 1 349.276 3.440 10 70 EGIEMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000159386889 455373506 /nfs/dbraw/zinc/37/35/06/455373506.db2.gz RKLFIRKXHLNICU-QGZVFWFLSA-N 1 1 348.512 3.373 10 70 EGIEMO Cc1ccc(-c2ncc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)s2)cc1 ZINC000159703172 455397511 /nfs/dbraw/zinc/39/75/11/455397511.db2.gz DZSAQOVUJLCKBF-DZGCQCFKSA-N 1 1 329.469 3.204 10 70 EGIEMO COc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160515859 455468845 /nfs/dbraw/zinc/46/88/45/455468845.db2.gz XXVQPUDCVPRJTK-FUHWJXTLSA-N 1 1 332.488 3.425 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159618801 455390130 /nfs/dbraw/zinc/39/01/30/455390130.db2.gz FBEIAKLBFNCVJK-VHSXEESVSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159618801 455390135 /nfs/dbraw/zinc/39/01/35/455390135.db2.gz FBEIAKLBFNCVJK-VHSXEESVSA-N 1 1 331.243 3.088 10 70 EGIEMO Cc1ccc(OC[C@H](O)C[N@H+](CCc2nccs2)C(C)C)c(C)c1 ZINC000159892483 455413287 /nfs/dbraw/zinc/41/32/87/455413287.db2.gz XFMKILPAXDIADC-QGZVFWFLSA-N 1 1 348.512 3.453 10 70 EGIEMO CC(C)[N@@H+](CCC(=O)N(C)c1ccccc1)CCc1nccs1 ZINC000159957622 455418149 /nfs/dbraw/zinc/41/81/49/455418149.db2.gz BDKJOTWSUVTPKW-UHFFFAOYSA-N 1 1 331.485 3.449 10 70 EGIEMO Cc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000160445477 455460425 /nfs/dbraw/zinc/46/04/25/455460425.db2.gz SDGJDFVOMYDWLM-OAHLLOKOSA-N 1 1 336.501 3.256 10 70 EGIEMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000160519886 455468237 /nfs/dbraw/zinc/46/82/37/455468237.db2.gz HYCPCCCEABODOR-INIZCTEOSA-N 1 1 340.471 3.244 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160602272 455479332 /nfs/dbraw/zinc/47/93/32/455479332.db2.gz RHCDGWMVFZVBHI-MRXNPFEDSA-N 1 1 331.435 3.086 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1C)c1nccs1 ZINC000161130545 455538476 /nfs/dbraw/zinc/53/84/76/455538476.db2.gz DQWNCGPKTDBULW-HOCLYGCPSA-N 1 1 331.485 3.240 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncncc2Br)C1 ZINC000161306773 455557618 /nfs/dbraw/zinc/55/76/18/455557618.db2.gz JRPKGNQRKMARJA-LBPRGKRZSA-N 1 1 327.270 3.019 10 70 EGIEMO OC[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000161458722 455572196 /nfs/dbraw/zinc/57/21/96/455572196.db2.gz OQNKOQQLBGUYAT-NRFANRHFSA-N 1 1 338.495 3.059 10 70 EGIEMO CC[N@@H+](CCc1nc(-c2ccccc2)no1)CCc1nccs1 ZINC000159380695 528600428 /nfs/dbraw/zinc/60/04/28/528600428.db2.gz LGKKRSFBAICULI-UHFFFAOYSA-N 1 1 328.441 3.300 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000160092579 225336028 /nfs/dbraw/zinc/33/60/28/225336028.db2.gz FXJZXTIOMFLBRC-KRWDZBQOSA-N 1 1 329.444 3.274 10 70 EGIEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000161289150 307901099 /nfs/dbraw/zinc/90/10/99/307901099.db2.gz ONENVXPBMPHKAM-YWZLYKJASA-N 1 1 325.456 3.238 10 70 EGIEMO C[C@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000159784684 455403584 /nfs/dbraw/zinc/40/35/84/455403584.db2.gz PVPGYKDMOPUWKN-YLJYHZDGSA-N 1 1 338.451 3.217 10 70 EGIEMO C[C@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000159784684 455403587 /nfs/dbraw/zinc/40/35/87/455403587.db2.gz PVPGYKDMOPUWKN-YLJYHZDGSA-N 1 1 338.451 3.217 10 70 EGIEMO C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000159803849 455404651 /nfs/dbraw/zinc/40/46/51/455404651.db2.gz VHUVFCWZRJGQOX-YJBOKZPZSA-N 1 1 329.488 3.341 10 70 EGIEMO CCOCC[N@@H+]1CCN(Cc2ncc(-c3ccccc3)s2)C[C@@H]1C ZINC000159924618 455415673 /nfs/dbraw/zinc/41/56/73/455415673.db2.gz OERNYXVNIVARIF-INIZCTEOSA-N 1 1 345.512 3.353 10 70 EGIEMO CCOCC[N@H+]1CCN(Cc2ncc(-c3ccccc3)s2)C[C@@H]1C ZINC000159924618 455415676 /nfs/dbraw/zinc/41/56/76/455415676.db2.gz OERNYXVNIVARIF-INIZCTEOSA-N 1 1 345.512 3.353 10 70 EGIEMO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160545976 455473151 /nfs/dbraw/zinc/47/31/51/455473151.db2.gz UMUJNEUGCAUPMA-UHFFFAOYSA-N 1 1 329.835 3.329 10 70 EGIEMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000159999239 455421367 /nfs/dbraw/zinc/42/13/67/455421367.db2.gz MZORRITWVWFMMA-FXAWDEMLSA-N 1 1 326.440 3.275 10 70 EGIEMO COc1cccc(CCC[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000160082433 455426989 /nfs/dbraw/zinc/42/69/89/455426989.db2.gz RTHKEKXKIDZGKY-GOSISDBHSA-N 1 1 325.456 3.457 10 70 EGIEMO C[N@@H+](CCN1CCO[C@H](c2cccs2)C1)Cc1ccc(F)cc1 ZINC000160188004 455436296 /nfs/dbraw/zinc/43/62/96/455436296.db2.gz MIOSBFAULLUFTR-KRWDZBQOSA-N 1 1 334.460 3.393 10 70 EGIEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161097882 455532851 /nfs/dbraw/zinc/53/28/51/455532851.db2.gz NGGHZIOOELYDMU-HBUWYVDXSA-N 1 1 336.863 3.294 10 70 EGIEMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192792 455546651 /nfs/dbraw/zinc/54/66/51/455546651.db2.gz CKTXEJDAGVYBAJ-HOCLYGCPSA-N 1 1 347.894 3.446 10 70 EGIEMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192792 455546655 /nfs/dbraw/zinc/54/66/55/455546655.db2.gz CKTXEJDAGVYBAJ-HOCLYGCPSA-N 1 1 347.894 3.446 10 70 EGIEMO CC[N@H+](CCc1nccs1)CC(=O)Nc1cccc2c1N=S=N2 ZINC000159421618 528608864 /nfs/dbraw/zinc/60/88/64/528608864.db2.gz CULQUAUBYMKFQC-UHFFFAOYSA-N 1 1 347.469 3.373 10 70 EGIEMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1cccc2c1N=S=N2 ZINC000159421618 528608866 /nfs/dbraw/zinc/60/88/66/528608866.db2.gz CULQUAUBYMKFQC-UHFFFAOYSA-N 1 1 347.469 3.373 10 70 EGIEMO C[C@H](C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C)c1cccc(Br)c1 ZINC000159673751 455394387 /nfs/dbraw/zinc/39/43/87/455394387.db2.gz QWABOKDLAXESGX-MBNYWOFBSA-N 1 1 339.277 3.138 10 70 EGIEMO C[C@H](C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C)c1cccc(Br)c1 ZINC000159673612 455394658 /nfs/dbraw/zinc/39/46/58/455394658.db2.gz QWABOKDLAXESGX-YRGRVCCFSA-N 1 1 339.277 3.138 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000160439581 455459029 /nfs/dbraw/zinc/45/90/29/455459029.db2.gz UICAGRMMTKQZEO-IAGOWNOFSA-N 1 1 330.472 3.179 10 70 EGIEMO COc1ccc(C[C@@H](C)C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000160657008 455484972 /nfs/dbraw/zinc/48/49/72/455484972.db2.gz VKLUCCIWMKNVPN-MRXNPFEDSA-N 1 1 332.488 3.255 10 70 EGIEMO COc1cccc(Cl)c1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160792508 455498758 /nfs/dbraw/zinc/49/87/58/455498758.db2.gz NJBPHMGNZCPSOE-CQSZACIVSA-N 1 1 338.879 3.128 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160462165 455462699 /nfs/dbraw/zinc/46/26/99/455462699.db2.gz XMHACRQBMQYBBW-FVQBIDKESA-N 1 1 336.426 3.305 10 70 EGIEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)no1 ZINC000161047889 455526665 /nfs/dbraw/zinc/52/66/65/455526665.db2.gz AEVJVWKQAMNKIU-INIZCTEOSA-N 1 1 337.427 3.018 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000161288672 455555610 /nfs/dbraw/zinc/55/56/10/455555610.db2.gz ZOEPZGKMXSNGFZ-ZDUSSCGKSA-N 1 1 343.456 3.394 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000161288672 455555615 /nfs/dbraw/zinc/55/56/15/455555615.db2.gz ZOEPZGKMXSNGFZ-ZDUSSCGKSA-N 1 1 343.456 3.394 10 70 EGIEMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000161485346 546956165 /nfs/dbraw/zinc/95/61/65/546956165.db2.gz TWLOSRMJIUXGSG-ZDUSSCGKSA-N 1 1 347.883 3.311 10 70 EGIEMO CS(=O)(=O)CCCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000161485346 546956170 /nfs/dbraw/zinc/95/61/70/546956170.db2.gz TWLOSRMJIUXGSG-ZDUSSCGKSA-N 1 1 347.883 3.311 10 70 EGIEMO CCN1CCN([C@H](C)C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000159993603 307883413 /nfs/dbraw/zinc/88/34/13/307883413.db2.gz KQIKFMMCROJNIH-HJUDDPQBSA-N 1 1 335.923 3.359 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702467 455397328 /nfs/dbraw/zinc/39/73/28/455397328.db2.gz VFUAYBYFAGAYMN-MWLCHTKSSA-N 1 1 332.778 3.027 10 70 EGIEMO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160513080 455467208 /nfs/dbraw/zinc/46/72/08/455467208.db2.gz XZIWOTIOZQTQBP-HBUWYVDXSA-N 1 1 336.863 3.294 10 70 EGIEMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160513080 455467214 /nfs/dbraw/zinc/46/72/14/455467214.db2.gz XZIWOTIOZQTQBP-HBUWYVDXSA-N 1 1 336.863 3.294 10 70 EGIEMO Cc1cnn([C@H]2CCC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)c1 ZINC000159467542 455378149 /nfs/dbraw/zinc/37/81/49/455378149.db2.gz FLNGQMRFEHQBRE-IBGZPJMESA-N 1 1 330.451 3.100 10 70 EGIEMO Cc1cnn([C@H]2CCCN(CC[N@@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000159467542 455378152 /nfs/dbraw/zinc/37/81/52/455378152.db2.gz FLNGQMRFEHQBRE-IBGZPJMESA-N 1 1 330.451 3.100 10 70 EGIEMO Cc1cnn([C@H]2CCCN(CC[N@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000159467542 455378154 /nfs/dbraw/zinc/37/81/54/455378154.db2.gz FLNGQMRFEHQBRE-IBGZPJMESA-N 1 1 330.451 3.100 10 70 EGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552685 455385006 /nfs/dbraw/zinc/38/50/06/455385006.db2.gz NRFJODXZTUNSMK-VHSXEESVSA-N 1 1 334.769 3.445 10 70 EGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000159552685 455385008 /nfs/dbraw/zinc/38/50/08/455385008.db2.gz NRFJODXZTUNSMK-VHSXEESVSA-N 1 1 334.769 3.445 10 70 EGIEMO CC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1C ZINC000160470854 455463582 /nfs/dbraw/zinc/46/35/82/455463582.db2.gz QRYRPYQKXAUPLT-QGZVFWFLSA-N 1 1 346.475 3.195 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000161333071 455559873 /nfs/dbraw/zinc/55/98/73/455559873.db2.gz XSSZTRGMNBGZID-INIZCTEOSA-N 1 1 337.427 3.333 10 70 EGIEMO Cc1cccc([C@@H]2CCCN2C[C@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000159792453 546941469 /nfs/dbraw/zinc/94/14/69/546941469.db2.gz NVUOWQLMTOGVRX-CTNGQTDRSA-N 1 1 339.483 3.020 10 70 EGIEMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)CN(C)Cc2ccccc2)n1 ZINC000159792453 546941473 /nfs/dbraw/zinc/94/14/73/546941473.db2.gz NVUOWQLMTOGVRX-CTNGQTDRSA-N 1 1 339.483 3.020 10 70 EGIEMO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)CN(C)Cc2ccccc2)n1 ZINC000159792453 546941476 /nfs/dbraw/zinc/94/14/76/546941476.db2.gz NVUOWQLMTOGVRX-CTNGQTDRSA-N 1 1 339.483 3.020 10 70 EGIEMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161050053 546952028 /nfs/dbraw/zinc/95/20/28/546952028.db2.gz WMFQIHUAWBQHIM-YVWKXTFCSA-N 1 1 334.504 3.009 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CCC=C(C)C)cn2)CC1 ZINC000159485092 307874621 /nfs/dbraw/zinc/87/46/21/307874621.db2.gz ZEFYAUYZKLGBPU-GOSISDBHSA-N 1 1 330.520 3.448 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@H](C)c1cccs1 ZINC000159760199 455401414 /nfs/dbraw/zinc/40/14/14/455401414.db2.gz OLPPBOHNBJYDBB-CYBMUJFWSA-N 1 1 337.514 3.335 10 70 EGIEMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159785475 455404283 /nfs/dbraw/zinc/40/42/83/455404283.db2.gz OZFYTCNCEFZJAF-INIZCTEOSA-N 1 1 334.485 3.144 10 70 EGIEMO Cc1cc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)ccc1F ZINC000160683439 455488167 /nfs/dbraw/zinc/48/81/67/455488167.db2.gz KDWASNMHLQNBNO-BEFAXECRSA-N 1 1 345.418 3.311 10 70 EGIEMO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159611614 455389117 /nfs/dbraw/zinc/38/91/17/455389117.db2.gz YPHCJYGTOTZFHA-YJBOKZPZSA-N 1 1 338.451 3.448 10 70 EGIEMO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160072631 455425812 /nfs/dbraw/zinc/42/58/12/455425812.db2.gz BHGUMTWRZIOVGD-CQSZACIVSA-N 1 1 337.427 3.324 10 70 EGIEMO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]1COc2ccccc21 ZINC000160372645 455451797 /nfs/dbraw/zinc/45/17/97/455451797.db2.gz IYWBBZLGULDUAH-MAUKXSAKSA-N 1 1 345.487 3.115 10 70 EGIEMO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160491308 455465439 /nfs/dbraw/zinc/46/54/39/455465439.db2.gz WRPBZZRZUUOBLF-YLJYHZDGSA-N 1 1 341.455 3.096 10 70 EGIEMO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160491308 455465442 /nfs/dbraw/zinc/46/54/42/455465442.db2.gz WRPBZZRZUUOBLF-YLJYHZDGSA-N 1 1 341.455 3.096 10 70 EGIEMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161129510 455537010 /nfs/dbraw/zinc/53/70/10/455537010.db2.gz YNAZQZIFCIBODM-CTNGQTDRSA-N 1 1 344.499 3.051 10 70 EGIEMO CC(C)OC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161180891 455545356 /nfs/dbraw/zinc/54/53/56/455545356.db2.gz LKIVSGXVDAOFIA-LSDHHAIUSA-N 1 1 345.361 3.155 10 70 EGIEMO CC(C)OC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161180891 455545360 /nfs/dbraw/zinc/54/53/60/455545360.db2.gz LKIVSGXVDAOFIA-LSDHHAIUSA-N 1 1 345.361 3.155 10 70 EGIEMO OC[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000161431392 455569262 /nfs/dbraw/zinc/56/92/62/455569262.db2.gz KUOOQAKJSZOPJW-OAHLLOKOSA-N 1 1 346.228 3.149 10 70 EGIEMO COc1cc(OC)cc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000161478287 455573998 /nfs/dbraw/zinc/57/39/98/455573998.db2.gz LJMCXLPHFDSWNB-KRWDZBQOSA-N 1 1 332.488 3.369 10 70 EGIEMO Cc1ccc(CCCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159674176 307877503 /nfs/dbraw/zinc/87/75/03/307877503.db2.gz URQKPSWRDXXGAR-UHFFFAOYSA-N 1 1 346.515 3.135 10 70 EGIEMO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159611775 455389485 /nfs/dbraw/zinc/38/94/85/455389485.db2.gz YPHCJYGTOTZFHA-CRAIPNDOSA-N 1 1 338.451 3.448 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159659567 455393696 /nfs/dbraw/zinc/39/36/96/455393696.db2.gz ODGWQBNDXCRCNP-MWLCHTKSSA-N 1 1 334.769 3.445 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159659567 455393702 /nfs/dbraw/zinc/39/37/02/455393702.db2.gz ODGWQBNDXCRCNP-MWLCHTKSSA-N 1 1 334.769 3.445 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C)s3)cn2)CC1 ZINC000159462145 455378403 /nfs/dbraw/zinc/37/84/03/455378403.db2.gz PPIXZEIDRZHKCY-MRXNPFEDSA-N 1 1 344.528 3.444 10 70 EGIEMO Cc1cccc(OC[C@@H](O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159815949 455407183 /nfs/dbraw/zinc/40/71/83/455407183.db2.gz GWPDQHZXAVWIFG-INIZCTEOSA-N 1 1 334.485 3.144 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)C1CCC(C)CC1 ZINC000159845418 455409366 /nfs/dbraw/zinc/40/93/66/455409366.db2.gz VGOFSFXLOFNEQV-UHFFFAOYSA-N 1 1 337.533 3.433 10 70 EGIEMO COCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000160442827 455459326 /nfs/dbraw/zinc/45/93/26/455459326.db2.gz HCECLADPZOVZRY-UHFFFAOYSA-N 1 1 343.423 3.115 10 70 EGIEMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000160797595 455500256 /nfs/dbraw/zinc/50/02/56/455500256.db2.gz BEJQSERQEVDYKG-OWYHZJEWSA-N 1 1 345.487 3.031 10 70 EGIEMO CCOc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1OC ZINC000160958617 455518468 /nfs/dbraw/zinc/51/84/68/455518468.db2.gz YXUGVTRAMGBEPW-MRXNPFEDSA-N 1 1 349.475 3.336 10 70 EGIEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000161043156 455526566 /nfs/dbraw/zinc/52/65/66/455526566.db2.gz RTZYIEIQXXLBPN-OWCLPIDISA-N 1 1 329.362 3.382 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1cccc(F)c1)c1nccs1 ZINC000161100933 455534129 /nfs/dbraw/zinc/53/41/29/455534129.db2.gz NOLILSDWBDXBQF-IUODEOHRSA-N 1 1 335.448 3.370 10 70 EGIEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000161288903 455555994 /nfs/dbraw/zinc/55/59/94/455555994.db2.gz ONENVXPBMPHKAM-MGPUTAFESA-N 1 1 325.456 3.238 10 70 EGIEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000160567433 534430776 /nfs/dbraw/zinc/43/07/76/534430776.db2.gz ASULRNWOCNFQNG-QGZVFWFLSA-N 1 1 332.492 3.221 10 70 EGIEMO CCCCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159653021 455393952 /nfs/dbraw/zinc/39/39/52/455393952.db2.gz AJGKHJDTQBHGNG-DOTOQJQBSA-N 1 1 348.487 3.350 10 70 EGIEMO Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)s2)cc1 ZINC000159703306 455397228 /nfs/dbraw/zinc/39/72/28/455397228.db2.gz DZSAQOVUJLCKBF-ZFWWWQNUSA-N 1 1 329.469 3.204 10 70 EGIEMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842391 455409067 /nfs/dbraw/zinc/40/90/67/455409067.db2.gz PCSNEEBLTFGXBA-SJORKVTESA-N 1 1 339.483 3.450 10 70 EGIEMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000160064124 455425203 /nfs/dbraw/zinc/42/52/03/455425203.db2.gz MPGIYUNKJXOPFG-RDTXWAMCSA-N 1 1 333.451 3.234 10 70 EGIEMO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160721141 455491927 /nfs/dbraw/zinc/49/19/27/455491927.db2.gz KAFNLGTWJVCWPC-KDOFPFPSSA-N 1 1 346.862 3.048 10 70 EGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160721141 455491932 /nfs/dbraw/zinc/49/19/32/455491932.db2.gz KAFNLGTWJVCWPC-KDOFPFPSSA-N 1 1 346.862 3.048 10 70 EGIEMO CCOC(=O)CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161027944 455524963 /nfs/dbraw/zinc/52/49/63/455524963.db2.gz LJLVNQOYXMAKHP-HUUCEWRRSA-N 1 1 345.361 3.156 10 70 EGIEMO CCOC(=O)CCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161027944 455524966 /nfs/dbraw/zinc/52/49/66/455524966.db2.gz LJLVNQOYXMAKHP-HUUCEWRRSA-N 1 1 345.361 3.156 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc(F)cc1)c1nccs1 ZINC000161087432 455531587 /nfs/dbraw/zinc/53/15/87/455531587.db2.gz ZWUVBXHQHSCKFI-IUODEOHRSA-N 1 1 335.448 3.070 10 70 EGIEMO COc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c2ccccc12 ZINC000161401483 455566421 /nfs/dbraw/zinc/56/64/21/455566421.db2.gz GRYGLDMWHXEFRI-KDOFPFPSSA-N 1 1 326.440 3.307 10 70 EGIEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000161408651 455567528 /nfs/dbraw/zinc/56/75/28/455567528.db2.gz MBYLQXKOQPBWMR-FZKQIMNGSA-N 1 1 344.434 3.344 10 70 EGIEMO COc1cc(OC)cc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000161478154 455573873 /nfs/dbraw/zinc/57/38/73/455573873.db2.gz LJMCXLPHFDSWNB-QGZVFWFLSA-N 1 1 332.488 3.369 10 70 EGIEMO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159611912 455389343 /nfs/dbraw/zinc/38/93/43/455389343.db2.gz YPHCJYGTOTZFHA-MAUKXSAKSA-N 1 1 338.451 3.448 10 70 EGIEMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OCCC(C)C ZINC000159620104 455390630 /nfs/dbraw/zinc/39/06/30/455390630.db2.gz SOJZDFOTHBAUNH-WBVHZDCISA-N 1 1 348.487 3.206 10 70 EGIEMO Cc1ccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159955459 455418626 /nfs/dbraw/zinc/41/86/26/455418626.db2.gz KWEHZZXVCVYGPT-UHFFFAOYSA-N 1 1 331.485 3.021 10 70 EGIEMO CCCCn1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000159926552 455415425 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ZINC000161343082 455560911 /nfs/dbraw/zinc/56/09/11/455560911.db2.gz KUIALRJEJPBNEG-KRWDZBQOSA-N 1 1 328.460 3.255 10 70 EGIEMO Cc1sc2[nH]c(C[N@H+](C)CCc3ccc(F)cc3)nc(=O)c2c1C ZINC000161453047 225631391 /nfs/dbraw/zinc/63/13/91/225631391.db2.gz KCPILVAIPFPCCV-UHFFFAOYSA-N 1 1 345.443 3.415 10 70 EGIEMO Cc1sc2[nH]c(C[N@@H+](C)CCc3ccc(F)cc3)nc(=O)c2c1C ZINC000161453047 225631396 /nfs/dbraw/zinc/63/13/96/225631396.db2.gz KCPILVAIPFPCCV-UHFFFAOYSA-N 1 1 345.443 3.415 10 70 EGIEMO CCN(C(=O)c1ccc[nH]c1=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000160825762 279013065 /nfs/dbraw/zinc/01/30/65/279013065.db2.gz NJKHRCDBWRLZGI-DOTOQJQBSA-N 1 1 339.439 3.085 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1nccs1 ZINC000161100118 307898629 /nfs/dbraw/zinc/89/86/29/307898629.db2.gz VZBYBEJBKCRJJH-YCPHGPKFSA-N 1 1 331.485 3.492 10 70 EGIEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)c1 ZINC000161179133 455544343 /nfs/dbraw/zinc/54/43/43/455544343.db2.gz DAMUHCWWSCYRIT-STQMWFEESA-N 1 1 337.261 3.066 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000161295708 455556546 /nfs/dbraw/zinc/55/65/46/455556546.db2.gz JHLDCWZYGOGHAH-ZDUSSCGKSA-N 1 1 334.851 3.340 10 70 EGIEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000160137935 527821185 /nfs/dbraw/zinc/82/11/85/527821185.db2.gz YSAJMYDAMFYCSD-CJNGLKHVSA-N 1 1 338.879 3.080 10 70 EGIEMO CCc1ccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000161075396 546953675 /nfs/dbraw/zinc/95/36/75/546953675.db2.gz NWMKURUGMQXAPI-XLIONFOSSA-N 1 1 341.455 3.426 10 70 EGIEMO Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1O ZINC000216710453 266193399 /nfs/dbraw/zinc/19/33/99/266193399.db2.gz ABDJMTOIPKBXTG-INIZCTEOSA-N 1 1 332.831 3.387 10 70 EGIEMO CCOc1cc(Cl)ccc1CNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000159739826 455399083 /nfs/dbraw/zinc/39/90/83/455399083.db2.gz SASZRNQZHZWYNM-HNNXBMFYSA-N 1 1 339.867 3.022 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000160439438 455458995 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C[C@@H]1C[N@H+](C2CCN(C(=O)CC/C=C/c3ccccc3)CC2)CCO1 ZINC000159540228 455384667 /nfs/dbraw/zinc/38/46/67/455384667.db2.gz AAHCNMJKZZBMGH-QKYXPGDISA-N 1 1 342.483 3.192 10 70 EGIEMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCCC(C)C ZINC000159620442 455390356 /nfs/dbraw/zinc/39/03/56/455390356.db2.gz SOJZDFOTHBAUNH-DOTOQJQBSA-N 1 1 348.487 3.206 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000159878503 455412900 /nfs/dbraw/zinc/41/29/00/455412900.db2.gz YSXJRSXRHRRBCR-HZPDHXFCSA-N 1 1 337.533 3.433 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160304251 455446885 /nfs/dbraw/zinc/44/68/85/455446885.db2.gz MVVQNLYNWFMPNC-MSOLQXFVSA-N 1 1 336.520 3.020 10 70 EGIEMO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)nc21 ZINC000160582326 455476325 /nfs/dbraw/zinc/47/63/25/455476325.db2.gz GXSPZQBRARNDKC-OAHLLOKOSA-N 1 1 340.471 3.142 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c21 ZINC000160582326 455476331 /nfs/dbraw/zinc/47/63/31/455476331.db2.gz GXSPZQBRARNDKC-OAHLLOKOSA-N 1 1 340.471 3.142 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[nH]c21 ZINC000160582326 455476334 /nfs/dbraw/zinc/47/63/34/455476334.db2.gz GXSPZQBRARNDKC-OAHLLOKOSA-N 1 1 340.471 3.142 10 70 EGIEMO CCOCCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC000160631447 455482464 /nfs/dbraw/zinc/48/24/64/455482464.db2.gz RAJNNIADHLTXSF-QGZVFWFLSA-N 1 1 339.524 3.003 10 70 EGIEMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161177960 455544200 /nfs/dbraw/zinc/54/42/00/455544200.db2.gz IJWTVLJMOBJAQD-WIYYLYMNSA-N 1 1 344.499 3.377 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1nccs1 ZINC000161096068 307898364 /nfs/dbraw/zinc/89/83/64/307898364.db2.gz OTAXYNCVENMHJW-DGCLKSJQSA-N 1 1 349.456 3.228 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCCOc1cccc(C)c1)c1nccs1 ZINC000161182918 307899847 /nfs/dbraw/zinc/89/98/47/307899847.db2.gz DVGQYTLZDYXMHB-ZBFHGGJFSA-N 1 1 347.484 3.076 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3sccc3C)cn2)CC1 ZINC000159500983 455381768 /nfs/dbraw/zinc/38/17/68/455381768.db2.gz KMFJKQCJPQCNSL-INIZCTEOSA-N 1 1 344.528 3.444 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C1CC1)C1CCCC1 ZINC000159828636 455407978 /nfs/dbraw/zinc/40/79/78/455407978.db2.gz NRELNEDSKOFYJX-UHFFFAOYSA-N 1 1 335.517 3.330 10 70 EGIEMO COc1cccc([C@H]2C[C@H]2C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160406132 455455155 /nfs/dbraw/zinc/45/51/55/455455155.db2.gz PIXZMRAEZJIJJK-BHIYHBOVSA-N 1 1 330.472 3.035 10 70 EGIEMO CC[N@H+](CCc1nccs1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000159435918 455377579 /nfs/dbraw/zinc/37/75/79/455377579.db2.gz ALBWHCKLKPNLBH-QGZVFWFLSA-N 1 1 343.496 3.201 10 70 EGIEMO CC[N@@H+](CCc1nccs1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000159435918 455377582 /nfs/dbraw/zinc/37/75/82/455377582.db2.gz ALBWHCKLKPNLBH-QGZVFWFLSA-N 1 1 343.496 3.201 10 70 EGIEMO CCOc1cc(Cl)ccc1CNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000159739955 455399668 /nfs/dbraw/zinc/39/96/68/455399668.db2.gz SASZRNQZHZWYNM-OAHLLOKOSA-N 1 1 339.867 3.022 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)CC1CCCCC1 ZINC000159806131 455405567 /nfs/dbraw/zinc/40/55/67/455405567.db2.gz NWGKQZZTHGQZPO-UHFFFAOYSA-N 1 1 337.533 3.435 10 70 EGIEMO C[N@@H+](Cc1ccccc1NC(=O)NC1(CO)CC1)C1CCCCC1 ZINC000160089839 455427607 /nfs/dbraw/zinc/42/76/07/455427607.db2.gz QQEJKQRPNHBLLY-UHFFFAOYSA-N 1 1 331.460 3.098 10 70 EGIEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000161173983 455544180 /nfs/dbraw/zinc/54/41/80/455544180.db2.gz XBZSJFBEJCYBLR-QMTMVMCOSA-N 1 1 334.435 3.088 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000161332421 455559990 /nfs/dbraw/zinc/55/99/90/455559990.db2.gz VJLWZHDWVQDPCJ-CQSZACIVSA-N 1 1 349.276 3.440 10 70 EGIEMO COc1ccccc1CC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000216905855 456031714 /nfs/dbraw/zinc/03/17/14/456031714.db2.gz AWEGPPVLTXVWMJ-WMZOPIPTSA-N 1 1 332.488 3.207 10 70 EGIEMO COc1ccccc1CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000216905855 456031718 /nfs/dbraw/zinc/03/17/18/456031718.db2.gz AWEGPPVLTXVWMJ-WMZOPIPTSA-N 1 1 332.488 3.207 10 70 EGIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000161400480 535264862 /nfs/dbraw/zinc/26/48/62/535264862.db2.gz BWDQBVIVAWYPKG-LPHOPBHVSA-N 1 1 329.488 3.135 10 70 EGIEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(OCCF)c1 ZINC000160555789 307891559 /nfs/dbraw/zinc/89/15/59/307891559.db2.gz JCNAYLDISBRYHU-GOSISDBHSA-N 1 1 330.403 3.146 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)C[C@H](O)COCc1cccs1 ZINC000159755816 455400388 /nfs/dbraw/zinc/40/03/88/455400388.db2.gz RDKQCMRAUYYNLG-AWEZNQCLSA-N 1 1 340.514 3.035 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000159764729 455402088 /nfs/dbraw/zinc/40/20/88/455402088.db2.gz IBEGOINOMUNXLJ-UHFFFAOYSA-N 1 1 339.411 3.313 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000159764729 455402094 /nfs/dbraw/zinc/40/20/94/455402094.db2.gz IBEGOINOMUNXLJ-UHFFFAOYSA-N 1 1 339.411 3.313 10 70 EGIEMO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160383698 455452877 /nfs/dbraw/zinc/45/28/77/455452877.db2.gz ONXPVTBIZJLQBR-MRXNPFEDSA-N 1 1 327.472 3.255 10 70 EGIEMO C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000159669267 455394924 /nfs/dbraw/zinc/39/49/24/455394924.db2.gz QLNARLNKDKZJFJ-PKOBYXMFSA-N 1 1 336.520 3.449 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000159759573 455401322 /nfs/dbraw/zinc/40/13/22/455401322.db2.gz SMKRFJCCEOKGSZ-HNNXBMFYSA-N 1 1 343.496 3.374 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000159759573 455401327 /nfs/dbraw/zinc/40/13/27/455401327.db2.gz SMKRFJCCEOKGSZ-HNNXBMFYSA-N 1 1 343.496 3.374 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160462289 455462416 /nfs/dbraw/zinc/46/24/16/455462416.db2.gz XMHACRQBMQYBBW-BMFZPTHFSA-N 1 1 336.426 3.305 10 70 EGIEMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cnn1-c1ccccc1 ZINC000160531995 455470746 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Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161147090 455540144 /nfs/dbraw/zinc/54/01/44/455540144.db2.gz GPUJEWODJQEMMH-UHFFFAOYSA-N 1 1 347.434 3.223 10 70 EGIEMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000161163211 455541915 /nfs/dbraw/zinc/54/19/15/455541915.db2.gz LQBKDKOPHDHBQO-UHFFFAOYSA-N 1 1 342.830 3.432 10 70 EGIEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000160138073 527746013 /nfs/dbraw/zinc/74/60/13/527746013.db2.gz YSAJMYDAMFYCSD-CZUORRHYSA-N 1 1 338.879 3.080 10 70 EGIEMO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1C ZINC000160709897 455489796 /nfs/dbraw/zinc/48/97/96/455489796.db2.gz VUIRTHWCMTZUDC-CRAIPNDOSA-N 1 1 336.501 3.239 10 70 EGIEMO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1C ZINC000160709897 455489800 /nfs/dbraw/zinc/48/98/00/455489800.db2.gz VUIRTHWCMTZUDC-CRAIPNDOSA-N 1 1 336.501 3.239 10 70 EGIEMO CCOCC[N@H+](CC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159554631 455385559 /nfs/dbraw/zinc/38/55/59/455385559.db2.gz 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Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000161408939 307902516 /nfs/dbraw/zinc/90/25/16/307902516.db2.gz MBYLQXKOQPBWMR-ACJLOTCBSA-N 1 1 344.434 3.344 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159618431 455389081 /nfs/dbraw/zinc/38/90/81/455389081.db2.gz FBEIAKLBFNCVJK-ZJUUUORDSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159618431 455389084 /nfs/dbraw/zinc/38/90/84/455389084.db2.gz FBEIAKLBFNCVJK-ZJUUUORDSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160515708 455468396 /nfs/dbraw/zinc/46/83/96/455468396.db2.gz XXVQPUDCVPRJTK-SJLPKXTDSA-N 1 1 332.488 3.425 10 70 EGIEMO CCN(C(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CCCCC1 ZINC000160805969 455500701 /nfs/dbraw/zinc/50/07/01/455500701.db2.gz HEWMGMLBQSBBQE-SQGPQFPESA-N 1 1 336.520 3.183 10 70 EGIEMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919769 455512859 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C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)[C@@H]1CCSC1 ZINC000161047781 455526821 /nfs/dbraw/zinc/52/68/21/455526821.db2.gz UXCLUJVHKFHBQI-SNVBAGLBSA-N 1 1 326.263 3.263 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000161353467 455561719 /nfs/dbraw/zinc/56/17/19/455561719.db2.gz RGYDECZPLWDYED-AWEZNQCLSA-N 1 1 336.386 3.279 10 70 EGIEMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000160007477 526527494 /nfs/dbraw/zinc/52/74/94/526527494.db2.gz HNLBKUMVQWUGNY-QGZVFWFLSA-N 1 1 342.443 3.071 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(C(=O)N(C)C)c1 ZINC000159784440 546941542 /nfs/dbraw/zinc/94/15/42/546941542.db2.gz MTJODUMRZIDCKP-UHFFFAOYSA-N 1 1 331.485 3.298 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cn2)CC1 ZINC000159480290 307874731 /nfs/dbraw/zinc/87/47/31/307874731.db2.gz QMFWMQIEPNPFII-HXUWFJFHSA-N 1 1 336.483 3.001 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)CCC=C(C)C)cn2)CC1 ZINC000159484969 455379631 /nfs/dbraw/zinc/37/96/31/455379631.db2.gz 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328.460 3.173 10 70 EGIEMO Cc1ccc(O)c(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1 ZINC000161475980 455573915 /nfs/dbraw/zinc/57/39/15/455573915.db2.gz YDUGLPVMYZGMCI-UHFFFAOYSA-N 1 1 345.418 3.474 10 70 EGIEMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000159986377 528813555 /nfs/dbraw/zinc/81/35/55/528813555.db2.gz YJQVRBHQARPKEX-MSOLQXFVSA-N 1 1 328.460 3.085 10 70 EGIEMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000159986377 528813562 /nfs/dbraw/zinc/81/35/62/528813562.db2.gz YJQVRBHQARPKEX-MSOLQXFVSA-N 1 1 328.460 3.085 10 70 EGIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000159680571 546940472 /nfs/dbraw/zinc/94/04/72/546940472.db2.gz FKMNBQQUPIXYGO-INIZCTEOSA-N 1 1 344.463 3.131 10 70 EGIEMO Cc1cccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160771153 546949929 /nfs/dbraw/zinc/94/99/29/546949929.db2.gz YPULJQGNFWZQIT-APWZRJJASA-N 1 1 327.428 3.172 10 70 EGIEMO C[N@@H+](CCNC(=O)CSc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000160654533 546950258 /nfs/dbraw/zinc/95/02/58/546950258.db2.gz RCGDDPPKQGTNJC-UHFFFAOYSA-N 1 1 346.500 3.036 10 70 EGIEMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000161485211 546956122 /nfs/dbraw/zinc/95/61/22/546956122.db2.gz TWLOSRMJIUXGSG-CYBMUJFWSA-N 1 1 347.883 3.311 10 70 EGIEMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000161485211 546956125 /nfs/dbraw/zinc/95/61/25/546956125.db2.gz TWLOSRMJIUXGSG-CYBMUJFWSA-N 1 1 347.883 3.311 10 70 EGIEMO CCC[N@@H+](CC)CCNC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000159381337 455373615 /nfs/dbraw/zinc/37/36/15/455373615.db2.gz LHMYKWCZGAQBKU-UHFFFAOYSA-N 1 1 340.471 3.280 10 70 EGIEMO CCCCCOc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159619515 455390329 /nfs/dbraw/zinc/39/03/29/455390329.db2.gz ZNGXPTXMNLFXQD-DOTOQJQBSA-N 1 1 348.487 3.350 10 70 EGIEMO COCC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000159642264 455392875 /nfs/dbraw/zinc/39/28/75/455392875.db2.gz NGUCBCDWZZXQAM-UHFFFAOYSA-N 1 1 338.249 3.184 10 70 EGIEMO Cc1ccccc1CCNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159792298 455404678 /nfs/dbraw/zinc/40/46/78/455404678.db2.gz YXQUVHWYOKJDPI-UHFFFAOYSA-N 1 1 345.512 3.063 10 70 EGIEMO Cc1[nH+]ccn1-c1cncc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160573518 455475928 /nfs/dbraw/zinc/47/59/28/455475928.db2.gz IAGWGLZKOPLHLL-SJORKVTESA-N 1 1 335.411 3.303 10 70 EGIEMO COc1ccccc1[C@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160470330 455463276 /nfs/dbraw/zinc/46/32/76/455463276.db2.gz YAIJWPSVKHNJOJ-IAGOWNOFSA-N 1 1 332.488 3.425 10 70 EGIEMO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1C1CC1 ZINC000161113110 455535359 /nfs/dbraw/zinc/53/53/59/455535359.db2.gz RDGPKKCHNHBDLE-UZLBHIALSA-N 1 1 330.472 3.250 10 70 EGIEMO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1C1CC1 ZINC000161113110 455535363 /nfs/dbraw/zinc/53/53/63/455535363.db2.gz RDGPKKCHNHBDLE-UZLBHIALSA-N 1 1 330.472 3.250 10 70 EGIEMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161170538 455543124 /nfs/dbraw/zinc/54/31/24/455543124.db2.gz RVZGFHZSMVRMPH-QMTMVMCOSA-N 1 1 334.435 3.088 10 70 EGIEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000159440580 534886184 /nfs/dbraw/zinc/88/61/84/534886184.db2.gz CNCFFZDFFFCKKA-SFHVURJKSA-N 1 1 340.471 3.188 10 70 EGIEMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCCCS(C)(=O)=O)C2CC2)o1 ZINC000161432607 546955580 /nfs/dbraw/zinc/95/55/80/546955580.db2.gz UEKMBBUPTVFGJH-CJNGLKHVSA-N 1 1 325.474 3.192 10 70 EGIEMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCCS(C)(=O)=O)C2CC2)o1 ZINC000161432607 546955583 /nfs/dbraw/zinc/95/55/83/546955583.db2.gz UEKMBBUPTVFGJH-CJNGLKHVSA-N 1 1 325.474 3.192 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000159732331 455399858 /nfs/dbraw/zinc/39/98/58/455399858.db2.gz UZIOOQCCMBEDST-BZUAXINKSA-N 1 1 337.533 3.337 10 70 EGIEMO Cc1ccccc1CN(C)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159815051 455406529 /nfs/dbraw/zinc/40/65/29/455406529.db2.gz UXKRCPRTNAKPEI-UHFFFAOYSA-N 1 1 345.512 3.363 10 70 EGIEMO Cn1nccc1C1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000160526463 455469621 /nfs/dbraw/zinc/46/96/21/455469621.db2.gz MSXSKTOVMSCFEL-UHFFFAOYSA-N 1 1 343.862 3.340 10 70 EGIEMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160536886 455472029 /nfs/dbraw/zinc/47/20/29/455472029.db2.gz CQCGLNRVDQUEAS-OAHLLOKOSA-N 1 1 326.444 3.233 10 70 EGIEMO COCCc1nsc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000160799702 455499523 /nfs/dbraw/zinc/49/95/23/455499523.db2.gz ZOLUEJQYLLVLNE-GOSISDBHSA-N 1 1 346.500 3.194 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000161344130 455561021 /nfs/dbraw/zinc/56/10/21/455561021.db2.gz GDFAPBRWGONDCN-CQSZACIVSA-N 1 1 336.386 3.279 10 70 EGIEMO CCCC(O)(CCC)CC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000161452226 455571587 /nfs/dbraw/zinc/57/15/87/455571587.db2.gz PRHZNMOEKRYKFI-MRXNPFEDSA-N 1 1 335.492 3.330 10 70 EGIEMO Cc1ccc([C@H]2COCCN2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000159726797 292273676 /nfs/dbraw/zinc/27/36/76/292273676.db2.gz IYYLIRFOLBZULL-GOSISDBHSA-N 1 1 332.419 3.232 10 70 EGIEMO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000160136153 225345144 /nfs/dbraw/zinc/34/51/44/225345144.db2.gz CLOWWWNUOWJKHJ-DOMZBBRYSA-N 1 1 328.378 3.094 10 70 EGIEMO Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1O ZINC000216710492 266193440 /nfs/dbraw/zinc/19/34/40/266193440.db2.gz ABDJMTOIPKBXTG-MRXNPFEDSA-N 1 1 332.831 3.387 10 70 EGIEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160775768 275195963 /nfs/dbraw/zinc/19/59/63/275195963.db2.gz DYVYBHQQNJZBAA-SFHVURJKSA-N 1 1 329.488 3.135 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CC/C=C/c1ccccc1 ZINC000160259693 455442936 /nfs/dbraw/zinc/44/29/36/455442936.db2.gz FJVVQMWISXOPQE-YRNVUSSQSA-N 1 1 344.499 3.297 10 70 EGIEMO CC[N@H+]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000159865373 455410377 /nfs/dbraw/zinc/41/03/77/455410377.db2.gz LFWXTCFHGWCRSI-UHFFFAOYSA-N 1 1 344.484 3.047 10 70 EGIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160304138 455446876 /nfs/dbraw/zinc/44/68/76/455446876.db2.gz MVVQNLYNWFMPNC-QZTJIDSGSA-N 1 1 336.520 3.020 10 70 EGIEMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]1COc2ccccc21 ZINC000160372505 455451851 /nfs/dbraw/zinc/45/18/51/455451851.db2.gz IYWBBZLGULDUAH-QAPCUYQASA-N 1 1 345.487 3.115 10 70 EGIEMO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000160545558 455472886 /nfs/dbraw/zinc/47/28/86/455472886.db2.gz IACUEPYIACOCBE-IARIHHJXSA-N 1 1 336.426 3.305 10 70 EGIEMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000160890165 455509449 /nfs/dbraw/zinc/50/94/49/455509449.db2.gz KALLMTKDESBMFN-KRWDZBQOSA-N 1 1 338.455 3.374 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1nccs1 ZINC000161087033 455532138 /nfs/dbraw/zinc/53/21/38/455532138.db2.gz ZWUVBXHQHSCKFI-WFASDCNBSA-N 1 1 335.448 3.070 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCc2sccc2C1)c1nccs1 ZINC000161103661 455533419 /nfs/dbraw/zinc/53/34/19/455533419.db2.gz LIWCFVLUEDJTHO-DGCLKSJQSA-N 1 1 335.498 3.219 10 70 EGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000161191233 455547035 /nfs/dbraw/zinc/54/70/35/455547035.db2.gz MAACIABQNXLXMZ-WBMJQRKESA-N 1 1 346.862 3.189 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000161288561 455556086 /nfs/dbraw/zinc/55/60/86/455556086.db2.gz ZOEPZGKMXSNGFZ-CYBMUJFWSA-N 1 1 343.456 3.394 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000161288561 455556089 /nfs/dbraw/zinc/55/60/89/455556089.db2.gz ZOEPZGKMXSNGFZ-CYBMUJFWSA-N 1 1 343.456 3.394 10 70 EGIEMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000160129408 534230775 /nfs/dbraw/zinc/23/07/75/534230775.db2.gz ZDUWSNWUSWKVIP-WFASDCNBSA-N 1 1 328.378 3.094 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCCC1CCCCC1 ZINC000159769203 546941635 /nfs/dbraw/zinc/94/16/35/546941635.db2.gz UJTNBSAHGGJUOU-UHFFFAOYSA-N 1 1 337.533 3.483 10 70 EGIEMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161022622 206324235 /nfs/dbraw/zinc/32/42/35/206324235.db2.gz JTQDIKQNSCCFTD-TZIWHRDSSA-N 1 1 344.499 3.199 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1nccs1 ZINC000161104820 307898589 /nfs/dbraw/zinc/89/85/89/307898589.db2.gz ITONEYRJQZOGLL-XHDPSFHLSA-N 1 1 346.456 3.169 10 70 EGIEMO COc1cc(Cl)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159710229 455397748 /nfs/dbraw/zinc/39/77/48/455397748.db2.gz BMDMSTFHJJGOTG-ZJUUUORDSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1cc(Cl)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159710229 455397751 /nfs/dbraw/zinc/39/77/51/455397751.db2.gz BMDMSTFHJJGOTG-ZJUUUORDSA-N 1 1 331.243 3.088 10 70 EGIEMO CCn1cc(C[N@@H+]2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)cn1 ZINC000160344755 455449519 /nfs/dbraw/zinc/44/95/19/455449519.db2.gz XGIRLSRHAJVFRN-UHFFFAOYSA-N 1 1 346.519 3.154 10 70 EGIEMO CCn1cc(C[N@H+]2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)cn1 ZINC000160344755 455449525 /nfs/dbraw/zinc/44/95/25/455449525.db2.gz XGIRLSRHAJVFRN-UHFFFAOYSA-N 1 1 346.519 3.154 10 70 EGIEMO Cc1cccc2c(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c[nH]c21 ZINC000160577898 455477000 /nfs/dbraw/zinc/47/70/00/455477000.db2.gz DYQIHLUAPZQRGT-INIZCTEOSA-N 1 1 327.472 3.400 10 70 EGIEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCC(C)C)n2)[C@H](C)C1 ZINC000159897789 455413402 /nfs/dbraw/zinc/41/34/02/455413402.db2.gz RHRHRXCNTTWMKL-HZPDHXFCSA-N 1 1 335.496 3.123 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000161271027 455554695 /nfs/dbraw/zinc/55/46/95/455554695.db2.gz VCSFDQJSDZDJMA-OAHLLOKOSA-N 1 1 339.418 3.365 10 70 EGIEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(SC)cc1 ZINC000217184896 456030885 /nfs/dbraw/zinc/03/08/85/456030885.db2.gz PYVFNULGFKCJPZ-MRXNPFEDSA-N 1 1 335.517 3.472 10 70 EGIEMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)CCc1nccs1 ZINC000159363110 206240988 /nfs/dbraw/zinc/24/09/88/206240988.db2.gz XWGLSRZBDQURHV-UHFFFAOYSA-N 1 1 333.457 3.045 10 70 EGIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccnc2SC(F)(F)F)[C@@H](C)C1 ZINC000161170645 206333332 /nfs/dbraw/zinc/33/33/32/206333332.db2.gz WFEUIQQFTULWHL-JQWIXIFHSA-N 1 1 347.406 3.152 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000159511916 455381690 /nfs/dbraw/zinc/38/16/90/455381690.db2.gz XNPMOVYDNMUJOW-RTBURBONSA-N 1 1 346.519 3.241 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000159481972 455379172 /nfs/dbraw/zinc/37/91/72/455379172.db2.gz SEDPLBZIAVRFTI-HXUWFJFHSA-N 1 1 338.451 3.191 10 70 EGIEMO CCCCNc1ccccc1C(=O)N1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000160884956 455508718 /nfs/dbraw/zinc/50/87/18/455508718.db2.gz HGIBSFRUOOLSTL-KRWDZBQOSA-N 1 1 347.503 3.081 10 70 EGIEMO CCCCNc1ccccc1C(=O)N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000160884956 455508723 /nfs/dbraw/zinc/50/87/23/455508723.db2.gz HGIBSFRUOOLSTL-KRWDZBQOSA-N 1 1 347.503 3.081 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1nccs1 ZINC000161087168 455531722 /nfs/dbraw/zinc/53/17/22/455531722.db2.gz ZWUVBXHQHSCKFI-SWLSCSKDSA-N 1 1 335.448 3.070 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000161092264 307898411 /nfs/dbraw/zinc/89/84/11/307898411.db2.gz NWJIJGMTODHLAO-TVQRCGJNSA-N 1 1 325.384 3.489 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607318 455389523 /nfs/dbraw/zinc/38/95/23/455389523.db2.gz LOZJTDWVVTZSMN-RDJZCZTQSA-N 1 1 348.450 3.111 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000159829702 455408035 /nfs/dbraw/zinc/40/80/35/455408035.db2.gz ZATRZMSECINFBI-CQSZACIVSA-N 1 1 335.517 3.186 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2ccccc2)n1C ZINC000159768433 455401718 /nfs/dbraw/zinc/40/17/18/455401718.db2.gz OEMLXCMUQHGWIR-UHFFFAOYSA-N 1 1 341.484 3.392 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)Cc1nnc(-c2ccccc2)n1C ZINC000159768433 455401721 /nfs/dbraw/zinc/40/17/21/455401721.db2.gz OEMLXCMUQHGWIR-UHFFFAOYSA-N 1 1 341.484 3.392 10 70 EGIEMO COc1cccc(SCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160380784 455453080 /nfs/dbraw/zinc/45/30/80/455453080.db2.gz ANBMLTZUGSPLIG-OAHLLOKOSA-N 1 1 336.501 3.024 10 70 EGIEMO Cc1cnn([C@H]2CCC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)c1 ZINC000159467825 455379586 /nfs/dbraw/zinc/37/95/86/455379586.db2.gz BJCZQTJAXIDKOS-SFHVURJKSA-N 1 1 346.519 3.113 10 70 EGIEMO Cc1ccccc1CNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159733700 455399197 /nfs/dbraw/zinc/39/91/97/455399197.db2.gz HAQWSUBCJSRBJD-UHFFFAOYSA-N 1 1 331.485 3.021 10 70 EGIEMO Cc1cccc2c1ncnc2N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160471145 455463352 /nfs/dbraw/zinc/46/33/52/455463352.db2.gz CFLQNORCQCYLSF-IXDOHACOSA-N 1 1 340.471 3.016 10 70 EGIEMO Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)c2)cs1 ZINC000160597265 455478098 /nfs/dbraw/zinc/47/80/98/455478098.db2.gz JKWZERMSUWEFPD-OAHLLOKOSA-N 1 1 346.500 3.297 10 70 EGIEMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160630952 455481908 /nfs/dbraw/zinc/48/19/08/455481908.db2.gz FBYQCDSQVSQYPL-SQGPQFPESA-N 1 1 330.472 3.257 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000161272479 455555026 /nfs/dbraw/zinc/55/50/26/455555026.db2.gz JZQYEAJNPDDPOR-AWEZNQCLSA-N 1 1 336.386 3.279 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCOc2ccccc2C)C1 ZINC000161342974 455560864 /nfs/dbraw/zinc/56/08/64/455560864.db2.gz KUIALRJEJPBNEG-QGZVFWFLSA-N 1 1 328.460 3.255 10 70 EGIEMO COc1cccc(CCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159459398 206246967 /nfs/dbraw/zinc/24/69/67/206246967.db2.gz YTQUFSWYJXIKLI-MJGOQNOKSA-N 1 1 345.439 3.045 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159459398 206246968 /nfs/dbraw/zinc/24/69/68/206246968.db2.gz YTQUFSWYJXIKLI-MJGOQNOKSA-N 1 1 345.439 3.045 10 70 EGIEMO Cc1nc2cc(NC(=O)N(C)CCCn3cc[nH+]c3C)ccc2o1 ZINC000160516381 206301717 /nfs/dbraw/zinc/30/17/17/206301717.db2.gz NGXMPBMGCWICGO-UHFFFAOYSA-N 1 1 327.388 3.195 10 70 EGIEMO C[C@H](C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1cccc(Br)c1 ZINC000159673476 455394306 /nfs/dbraw/zinc/39/43/06/455394306.db2.gz QWABOKDLAXESGX-DYEKYZERSA-N 1 1 339.277 3.138 10 70 EGIEMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159815485 455407263 /nfs/dbraw/zinc/40/72/63/455407263.db2.gz XALSHEFZIYZUCJ-KRWDZBQOSA-N 1 1 348.512 3.453 10 70 EGIEMO Cc1cc(NC(=O)C[N@H+]2CCCC2(C)C)n(-c2ccccc2F)n1 ZINC000160467288 455462798 /nfs/dbraw/zinc/46/27/98/455462798.db2.gz HYNPFXBDOQSBCQ-UHFFFAOYSA-N 1 1 330.407 3.133 10 70 EGIEMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1OC(C)C ZINC000160603522 455479323 /nfs/dbraw/zinc/47/93/23/455479323.db2.gz NFRJAIQXXFDCQK-QGZVFWFLSA-N 1 1 348.487 3.333 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000161418243 455568900 /nfs/dbraw/zinc/56/89/00/455568900.db2.gz GALVWRMLFYEMCB-CYBMUJFWSA-N 1 1 343.456 3.394 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000161418243 455568906 /nfs/dbraw/zinc/56/89/06/455568906.db2.gz GALVWRMLFYEMCB-CYBMUJFWSA-N 1 1 343.456 3.394 10 70 EGIEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000159680700 546940438 /nfs/dbraw/zinc/94/04/38/546940438.db2.gz FKMNBQQUPIXYGO-MRXNPFEDSA-N 1 1 344.463 3.131 10 70 EGIEMO Clc1ccc(C2=NO[C@H](C[N@@H+](C[C@@H]3CCOC3)C3CC3)C2)cc1 ZINC000159745121 206260461 /nfs/dbraw/zinc/26/04/61/206260461.db2.gz UBHBPYNCTVPXPW-GUYCJALGSA-N 1 1 334.847 3.334 10 70 EGIEMO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(Cl)cc1 ZINC000160806436 206314545 /nfs/dbraw/zinc/31/45/45/206314545.db2.gz YKZZIDZJFOIEDE-UHFFFAOYSA-N 1 1 337.876 3.265 10 70 EGIEMO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(Cl)cc1 ZINC000160806436 206314546 /nfs/dbraw/zinc/31/45/46/206314546.db2.gz YKZZIDZJFOIEDE-UHFFFAOYSA-N 1 1 337.876 3.265 10 70 EGIEMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161049532 206325606 /nfs/dbraw/zinc/32/56/06/206325606.db2.gz RUSPQZLKMLDKMW-IDHHARJASA-N 1 1 327.428 3.425 10 70 EGIEMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000159784624 307879609 /nfs/dbraw/zinc/87/96/09/307879609.db2.gz MJKKDMQFNVRONZ-DLBZAZTESA-N 1 1 345.418 3.398 10 70 EGIEMO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2noc(-c3ccsc3)n2)C1 ZINC000160893882 307895674 /nfs/dbraw/zinc/89/56/74/307895674.db2.gz UCTPEYGOHRQZTQ-YVEFUNNKSA-N 1 1 335.473 3.465 10 70 EGIEMO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000159669115 455394538 /nfs/dbraw/zinc/39/45/38/455394538.db2.gz QLNARLNKDKZJFJ-IEBWSBKVSA-N 1 1 336.520 3.449 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159659441 455394086 /nfs/dbraw/zinc/39/40/86/455394086.db2.gz ODGWQBNDXCRCNP-ONGXEEELSA-N 1 1 334.769 3.445 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000159659441 455394092 /nfs/dbraw/zinc/39/40/92/455394092.db2.gz ODGWQBNDXCRCNP-ONGXEEELSA-N 1 1 334.769 3.445 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@@H](C)c1cccs1 ZINC000159760047 455401753 /nfs/dbraw/zinc/40/17/53/455401753.db2.gz OLPPBOHNBJYDBB-ZDUSSCGKSA-N 1 1 337.514 3.335 10 70 EGIEMO CCCCC[N@@H+](CCO)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159641959 455391261 /nfs/dbraw/zinc/39/12/61/455391261.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 1 1 340.265 3.310 10 70 EGIEMO CCCCC[N@H+](CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159641959 455391270 /nfs/dbraw/zinc/39/12/70/455391270.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 1 1 340.265 3.310 10 70 EGIEMO CCCCC[N@@H+](CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159641959 455391275 /nfs/dbraw/zinc/39/12/75/455391275.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 1 1 340.265 3.310 10 70 EGIEMO COCCOc1cc2c(cc1C[N@H+](C)Cc1cccc(F)c1)OCO2 ZINC000160465194 455462258 /nfs/dbraw/zinc/46/22/58/455462258.db2.gz SYWPNZUDFPZBLN-UHFFFAOYSA-N 1 1 347.386 3.212 10 70 EGIEMO COCCOc1cc2c(cc1C[N@@H+](C)Cc1cccc(F)c1)OCO2 ZINC000160465194 455462262 /nfs/dbraw/zinc/46/22/62/455462262.db2.gz SYWPNZUDFPZBLN-UHFFFAOYSA-N 1 1 347.386 3.212 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1Br ZINC000160479653 455465102 /nfs/dbraw/zinc/46/51/02/455465102.db2.gz IFOBCQNFUJMUDG-LLVKDONJSA-N 1 1 345.306 3.361 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1nccs1 ZINC000161100713 455534214 /nfs/dbraw/zinc/53/42/14/455534214.db2.gz NOLILSDWBDXBQF-SWLSCSKDSA-N 1 1 335.448 3.370 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000161426180 455569771 /nfs/dbraw/zinc/56/97/71/455569771.db2.gz HQWVPEGFPCFOLP-QGZVFWFLSA-N 1 1 328.460 3.173 10 70 EGIEMO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC000217159182 241239370 /nfs/dbraw/zinc/23/93/70/241239370.db2.gz KULDHTMGCYYQNH-HXUWFJFHSA-N 1 1 338.455 3.256 10 70 EGIEMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000159986525 206273161 /nfs/dbraw/zinc/27/31/61/206273161.db2.gz YJQVRBHQARPKEX-ROUUACIJSA-N 1 1 328.460 3.085 10 70 EGIEMO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000159986525 206273164 /nfs/dbraw/zinc/27/31/64/206273164.db2.gz YJQVRBHQARPKEX-ROUUACIJSA-N 1 1 328.460 3.085 10 70 EGIEMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000160007332 206274371 /nfs/dbraw/zinc/27/43/71/206274371.db2.gz HNLBKUMVQWUGNY-KRWDZBQOSA-N 1 1 342.443 3.071 10 70 EGIEMO OC[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000161458843 206349153 /nfs/dbraw/zinc/34/91/53/206349153.db2.gz OQNKOQQLBGUYAT-OAQYLSRUSA-N 1 1 338.495 3.059 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702341 140944808 /nfs/dbraw/zinc/94/48/08/140944808.db2.gz VFUAYBYFAGAYMN-ONGXEEELSA-N 1 1 332.778 3.027 10 70 EGIEMO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159611471 455389212 /nfs/dbraw/zinc/38/92/12/455389212.db2.gz YPHCJYGTOTZFHA-QAPCUYQASA-N 1 1 338.451 3.448 10 70 EGIEMO C[C@@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000159784545 455403395 /nfs/dbraw/zinc/40/33/95/455403395.db2.gz PVPGYKDMOPUWKN-FXAWDEMLSA-N 1 1 338.451 3.217 10 70 EGIEMO C[C@@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000159784545 455403398 /nfs/dbraw/zinc/40/33/98/455403398.db2.gz PVPGYKDMOPUWKN-FXAWDEMLSA-N 1 1 338.451 3.217 10 70 EGIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160386156 455454361 /nfs/dbraw/zinc/45/43/61/455454361.db2.gz VMFSKCYSTOIYTK-ZYHUDNBSSA-N 1 1 330.325 3.153 10 70 EGIEMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000160558085 455474135 /nfs/dbraw/zinc/47/41/35/455474135.db2.gz IPPXHPGAHNRZJF-LLVKDONJSA-N 1 1 343.370 3.228 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cccs3)cn2)CC1 ZINC000159496031 455380641 /nfs/dbraw/zinc/38/06/41/455380641.db2.gz RZLYFKCZJCEVEG-HNNXBMFYSA-N 1 1 330.501 3.136 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(OC(F)F)cc1 ZINC000160568738 455475372 /nfs/dbraw/zinc/47/53/72/455475372.db2.gz UZYDRLRMEGKADQ-OAHLLOKOSA-N 1 1 340.414 3.067 10 70 EGIEMO COCCc1nsc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000160799821 455499566 /nfs/dbraw/zinc/49/95/66/455499566.db2.gz ZOLUEJQYLLVLNE-SFHVURJKSA-N 1 1 346.500 3.194 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000161332951 455559744 /nfs/dbraw/zinc/55/97/44/455559744.db2.gz XSSZTRGMNBGZID-MRXNPFEDSA-N 1 1 337.427 3.333 10 70 EGIEMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@](C)(O)CC ZINC000160461104 206298397 /nfs/dbraw/zinc/29/83/97/206298397.db2.gz AYDIYMFRDQBHGU-HNNXBMFYSA-N 1 1 332.366 3.127 10 70 EGIEMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160625127 152765410 /nfs/dbraw/zinc/76/54/10/152765410.db2.gz NUTJPVQPSIIHMW-KRWDZBQOSA-N 1 1 343.471 3.152 10 70 EGIEMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159952438 455418489 /nfs/dbraw/zinc/41/84/89/455418489.db2.gz FYKUZNMYGZSGSH-KRWDZBQOSA-N 1 1 348.512 3.453 10 70 EGIEMO CN(C)C(=O)COc1ccccc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000160809928 455500691 /nfs/dbraw/zinc/50/06/91/455500691.db2.gz IQNKAAMGXALRKD-UHFFFAOYSA-N 1 1 346.858 3.439 10 70 EGIEMO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2noc(-c3ccsc3)n2)C1 ZINC000160893772 455509123 /nfs/dbraw/zinc/50/91/23/455509123.db2.gz UCTPEYGOHRQZTQ-SJKOYZFVSA-N 1 1 335.473 3.465 10 70 EGIEMO Fc1cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000217827670 456033597 /nfs/dbraw/zinc/03/35/97/456033597.db2.gz ROQIJIQZTGGXLN-GJZGRUSLSA-N 1 1 327.241 3.305 10 70 EGIEMO Fc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)ccc1Br ZINC000217827670 456033598 /nfs/dbraw/zinc/03/35/98/456033598.db2.gz ROQIJIQZTGGXLN-GJZGRUSLSA-N 1 1 327.241 3.305 10 70 EGIEMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160760389 279081171 /nfs/dbraw/zinc/08/11/71/279081171.db2.gz ITLKUZOQFWDAMM-SVFBPWRDSA-N 1 1 344.499 3.223 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1nccs1 ZINC000161104921 307898688 /nfs/dbraw/zinc/89/86/88/307898688.db2.gz ITONEYRJQZOGLL-ABAIWWIYSA-N 1 1 346.456 3.169 10 70 EGIEMO Cc1c(F)cccc1-c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159546792 455384631 /nfs/dbraw/zinc/38/46/31/455384631.db2.gz CVAUFNQTIRXRAH-JSGCOSHPSA-N 1 1 330.403 3.480 10 70 EGIEMO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159592976 455387161 /nfs/dbraw/zinc/38/71/61/455387161.db2.gz RSFBKQCDFNRNNC-UONOGXRCSA-N 1 1 330.403 3.480 10 70 EGIEMO Cc1ccccc1OC[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159785333 455403647 /nfs/dbraw/zinc/40/36/47/455403647.db2.gz OZFYTCNCEFZJAF-MRXNPFEDSA-N 1 1 334.485 3.144 10 70 EGIEMO CC(C)[N@@H+](CCC(=O)N1CCc2ccccc21)CCc1nccs1 ZINC000159813214 455405721 /nfs/dbraw/zinc/40/57/21/455405721.db2.gz JIRSCZWPZSRUFE-UHFFFAOYSA-N 1 1 343.496 3.375 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CSc1nc2ccccc2o1 ZINC000160451517 455459755 /nfs/dbraw/zinc/45/97/55/455459755.db2.gz KSTRXQPYMGWFEU-CQSZACIVSA-N 1 1 347.484 3.157 10 70 EGIEMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F ZINC000160557957 455473711 /nfs/dbraw/zinc/47/37/11/455473711.db2.gz IPPXHPGAHNRZJF-NSHDSACASA-N 1 1 343.370 3.228 10 70 EGIEMO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCCCS(C)(=O)=O)C2CC2)o1 ZINC000161432970 546955352 /nfs/dbraw/zinc/95/53/52/546955352.db2.gz 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70 EGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607604 455389098 /nfs/dbraw/zinc/38/90/98/455389098.db2.gz LOZJTDWVVTZSMN-DOTOQJQBSA-N 1 1 348.450 3.111 10 70 EGIEMO CC1(C)CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000159631573 455391223 /nfs/dbraw/zinc/39/12/23/455391223.db2.gz AYVBHKOXZCLYEG-HNAYVOBHSA-N 1 1 341.499 3.484 10 70 EGIEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159893791 455413376 /nfs/dbraw/zinc/41/33/76/455413376.db2.gz BEJXYYWMKGRIHA-CYBMUJFWSA-N 1 1 333.863 3.354 10 70 EGIEMO COCc1nc(C)cc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000160798724 455499808 /nfs/dbraw/zinc/49/98/08/455499808.db2.gz GHCUUPSVRLDMCP-HXUWFJFHSA-N 1 1 340.471 3.398 10 70 EGIEMO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000161131101 455537946 /nfs/dbraw/zinc/53/79/46/455537946.db2.gz NASYFHVSMNIMTG-ZDUSSCGKSA-N 1 1 337.261 3.068 10 70 EGIEMO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000161131101 455537951 /nfs/dbraw/zinc/53/79/51/455537951.db2.gz NASYFHVSMNIMTG-ZDUSSCGKSA-N 1 1 337.261 3.068 10 70 EGIEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)cn1 ZINC000161237923 455551579 /nfs/dbraw/zinc/55/15/79/455551579.db2.gz PZOJRONDJVXIMR-ROUUACIJSA-N 1 1 338.455 3.408 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000161269900 455555133 /nfs/dbraw/zinc/55/51/33/455555133.db2.gz KNHHXUVAMARSCM-ZDUSSCGKSA-N 1 1 333.505 3.432 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000161269900 455555136 /nfs/dbraw/zinc/55/51/36/455555136.db2.gz KNHHXUVAMARSCM-ZDUSSCGKSA-N 1 1 333.505 3.432 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000161305024 455557004 /nfs/dbraw/zinc/55/70/04/455557004.db2.gz PSCNQZPOZMIYEB-CQSZACIVSA-N 1 1 334.464 3.409 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000161327398 455559390 /nfs/dbraw/zinc/55/93/90/455559390.db2.gz UPBFIXFYAIIIGS-AWEZNQCLSA-N 1 1 334.851 3.210 10 70 EGIEMO Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160006454 546942882 /nfs/dbraw/zinc/94/28/82/546942882.db2.gz LUJAFCDIDJVACN-INIZCTEOSA-N 1 1 334.508 3.328 10 70 EGIEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000159440692 225219143 /nfs/dbraw/zinc/21/91/43/225219143.db2.gz CNCFFZDFFFCKKA-GOSISDBHSA-N 1 1 340.471 3.188 10 70 EGIEMO CC[NH+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000217185139 266194578 /nfs/dbraw/zinc/19/45/78/266194578.db2.gz RYMNNNHUXZSDDL-CQSZACIVSA-N 1 1 342.270 3.328 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000161092159 307898323 /nfs/dbraw/zinc/89/83/23/307898323.db2.gz NWJIJGMTODHLAO-ZANVPECISA-N 1 1 325.384 3.489 10 70 EGIEMO CC[N@@H+](C)[C@H](C(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000160389961 455453849 /nfs/dbraw/zinc/45/38/49/455453849.db2.gz VEBBPZKNPNWJPD-IBGZPJMESA-N 1 1 336.439 3.181 10 70 EGIEMO CC[N@H+](C)[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000160389961 455453859 /nfs/dbraw/zinc/45/38/59/455453859.db2.gz VEBBPZKNPNWJPD-IBGZPJMESA-N 1 1 336.439 3.181 10 70 EGIEMO CC[N@@H+](C)[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000160389961 455453864 /nfs/dbraw/zinc/45/38/64/455453864.db2.gz VEBBPZKNPNWJPD-IBGZPJMESA-N 1 1 336.439 3.181 10 70 EGIEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000159804234 455406152 /nfs/dbraw/zinc/40/61/52/455406152.db2.gz VHUVFCWZRJGQOX-CRAIPNDOSA-N 1 1 329.488 3.341 10 70 EGIEMO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160522098 455469793 /nfs/dbraw/zinc/46/97/93/455469793.db2.gz LEIXWEFSPXAVOK-GOSISDBHSA-N 1 1 340.471 3.031 10 70 EGIEMO CCc1cccc(CC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000160635053 455483420 /nfs/dbraw/zinc/48/34/20/455483420.db2.gz WXNMTQZMOQAFGC-UHFFFAOYSA-N 1 1 328.481 3.028 10 70 EGIEMO CCc1cccc(CC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000160635053 455483427 /nfs/dbraw/zinc/48/34/27/455483427.db2.gz WXNMTQZMOQAFGC-UHFFFAOYSA-N 1 1 328.481 3.028 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1cccc(F)c1)c1nccs1 ZINC000161100827 455533859 /nfs/dbraw/zinc/53/38/59/455533859.db2.gz NOLILSDWBDXBQF-DOMZBBRYSA-N 1 1 335.448 3.370 10 70 EGIEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000161114435 455535964 /nfs/dbraw/zinc/53/59/64/455535964.db2.gz DFCTZHRETDLJRR-QMTMVMCOSA-N 1 1 334.435 3.088 10 70 EGIEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000161114435 455535967 /nfs/dbraw/zinc/53/59/67/455535967.db2.gz DFCTZHRETDLJRR-QMTMVMCOSA-N 1 1 334.435 3.088 10 70 EGIEMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC2CC2)C1 ZINC000161180409 455545314 /nfs/dbraw/zinc/54/53/14/455545314.db2.gz MUIVWVDOKJXKNU-JKSUJKDBSA-N 1 1 329.362 3.240 10 70 EGIEMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC2CC2)C1 ZINC000161180409 455545318 /nfs/dbraw/zinc/54/53/18/455545318.db2.gz MUIVWVDOKJXKNU-JKSUJKDBSA-N 1 1 329.362 3.240 10 70 EGIEMO O=C(NCc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217314104 456032206 /nfs/dbraw/zinc/03/22/06/456032206.db2.gz GGOGCZYPCULCDG-UHFFFAOYSA-N 1 1 343.858 3.367 10 70 EGIEMO C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112510 241236508 /nfs/dbraw/zinc/23/65/08/241236508.db2.gz VAQUTDYMSRBPDG-YWZLYKJASA-N 1 1 334.419 3.490 10 70 EGIEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000161289033 307901036 /nfs/dbraw/zinc/90/10/36/307901036.db2.gz ONENVXPBMPHKAM-FOIQADDNSA-N 1 1 325.456 3.238 10 70 EGIEMO Cc1cnn([C@@H]2CCC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)c1 ZINC000159467703 455378273 /nfs/dbraw/zinc/37/82/73/455378273.db2.gz BJCZQTJAXIDKOS-GOSISDBHSA-N 1 1 346.519 3.113 10 70 EGIEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C)cc3)cn2)CC1 ZINC000159536484 455383484 /nfs/dbraw/zinc/38/34/84/455383484.db2.gz SSIYZBWJGBLLLD-GOSISDBHSA-N 1 1 338.499 3.383 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)[nH]c21 ZINC000160412870 455455988 /nfs/dbraw/zinc/45/59/88/455455988.db2.gz LRMJOHASWZNLOK-SFHVURJKSA-N 1 1 348.450 3.152 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)[nH]c21 ZINC000160412870 455455990 /nfs/dbraw/zinc/45/59/90/455455990.db2.gz LRMJOHASWZNLOK-SFHVURJKSA-N 1 1 348.450 3.152 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000161296306 455556822 /nfs/dbraw/zinc/55/68/22/455556822.db2.gz HKLZKBYCFPGRSP-HNNXBMFYSA-N 1 1 332.423 3.086 10 70 EGIEMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1c(C)cccc1C ZINC000159385478 528608694 /nfs/dbraw/zinc/60/86/94/528608694.db2.gz QSTRERFPTHBECG-MRXNPFEDSA-N 1 1 334.485 3.064 10 70 EGIEMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196693 529004722 /nfs/dbraw/zinc/00/47/22/529004722.db2.gz FTSDLPSPAMWJFC-WMLDXEAASA-N 1 1 333.476 3.179 10 70 EGIEMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196693 529004725 /nfs/dbraw/zinc/00/47/25/529004725.db2.gz FTSDLPSPAMWJFC-WMLDXEAASA-N 1 1 333.476 3.179 10 70 EGIEMO Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160006599 546942992 /nfs/dbraw/zinc/94/29/92/546942992.db2.gz LUJAFCDIDJVACN-MRXNPFEDSA-N 1 1 334.508 3.328 10 70 EGIEMO CS(=O)(=O)CCCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000161487239 546956178 /nfs/dbraw/zinc/95/61/78/546956178.db2.gz MANOOCIFGRYOAW-UHFFFAOYSA-N 1 1 349.418 3.495 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159618562 455390313 /nfs/dbraw/zinc/39/03/13/455390313.db2.gz FBEIAKLBFNCVJK-UWVGGRQHSA-N 1 1 331.243 3.088 10 70 EGIEMO CCCCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159653177 455393897 /nfs/dbraw/zinc/39/38/97/455393897.db2.gz AJGKHJDTQBHGNG-RDJZCZTQSA-N 1 1 348.487 3.350 10 70 EGIEMO c1nc(N2CCOCC2)sc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000159750938 455400667 /nfs/dbraw/zinc/40/06/67/455400667.db2.gz VXRUEAQNBCNUAQ-UHFFFAOYSA-N 1 1 341.480 3.269 10 70 EGIEMO Cc1cc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)ccc1F ZINC000160683314 455488099 /nfs/dbraw/zinc/48/80/99/455488099.db2.gz KDWASNMHLQNBNO-DNVCBOLYSA-N 1 1 345.418 3.311 10 70 EGIEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572651 455385730 /nfs/dbraw/zinc/38/57/30/455385730.db2.gz FBLKWJLMBJCGAP-RYUDHWBXSA-N 1 1 334.366 3.311 10 70 EGIEMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159618562 455390311 /nfs/dbraw/zinc/39/03/11/455390311.db2.gz FBEIAKLBFNCVJK-UWVGGRQHSA-N 1 1 331.243 3.088 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)Cc1ccccc1 ZINC000159819338 455407048 /nfs/dbraw/zinc/40/70/48/455407048.db2.gz ODMZWFICYMQJKK-UHFFFAOYSA-N 1 1 331.485 3.055 10 70 EGIEMO COc1ccc(C)cc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159862775 455410024 /nfs/dbraw/zinc/41/00/24/455410024.db2.gz DTGBCBMXCFOUJH-UHFFFAOYSA-N 1 1 347.484 3.352 10 70 EGIEMO COc1ccc(C)cc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159862775 455410028 /nfs/dbraw/zinc/41/00/28/455410028.db2.gz DTGBCBMXCFOUJH-UHFFFAOYSA-N 1 1 347.484 3.352 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159878646 455412640 /nfs/dbraw/zinc/41/26/40/455412640.db2.gz YSXJRSXRHRRBCR-JKSUJKDBSA-N 1 1 337.533 3.433 10 70 EGIEMO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2noc(-c3ccsc3)n2)C1 ZINC000160893501 455509994 /nfs/dbraw/zinc/50/99/94/455509994.db2.gz UCTPEYGOHRQZTQ-PXAZEXFGSA-N 1 1 335.473 3.465 10 70 EGIEMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161022780 455524677 /nfs/dbraw/zinc/52/46/77/455524677.db2.gz JTQDIKQNSCCFTD-CTNGQTDRSA-N 1 1 344.499 3.199 10 70 EGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccnc2SC(F)(F)F)C1 ZINC000161170505 455542697 /nfs/dbraw/zinc/54/26/97/455542697.db2.gz WFEUIQQFTULWHL-PWSUYJOCSA-N 1 1 347.406 3.152 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000161296237 455556831 /nfs/dbraw/zinc/55/68/31/455556831.db2.gz HKLZKBYCFPGRSP-OAHLLOKOSA-N 1 1 332.423 3.086 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000161327677 455559960 /nfs/dbraw/zinc/55/99/60/455559960.db2.gz IVGVLMVIHUKESB-AWEZNQCLSA-N 1 1 334.851 3.210 10 70 EGIEMO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160377458 526958822 /nfs/dbraw/zinc/95/88/22/526958822.db2.gz PMFFGNLOKOZTHC-QGZVFWFLSA-N 1 1 346.475 3.195 10 70 EGIEMO COc1cccc(CCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159459259 225221559 /nfs/dbraw/zinc/22/15/59/225221559.db2.gz YTQUFSWYJXIKLI-HKUYNNGSSA-N 1 1 345.439 3.045 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159459259 225221562 /nfs/dbraw/zinc/22/15/62/225221562.db2.gz YTQUFSWYJXIKLI-HKUYNNGSSA-N 1 1 345.439 3.045 10 70 EGIEMO COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1O ZINC000216710614 266193225 /nfs/dbraw/zinc/19/32/25/266193225.db2.gz FSIWUAYNHLQPTH-OAHLLOKOSA-N 1 1 348.830 3.087 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCc2ccccc21 ZINC000159923511 455415663 /nfs/dbraw/zinc/41/56/63/455415663.db2.gz YWFNDTWAVUMZLD-UHFFFAOYSA-N 1 1 343.496 3.375 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CCCc2ccccc21 ZINC000159923511 455415665 /nfs/dbraw/zinc/41/56/65/455415665.db2.gz YWFNDTWAVUMZLD-UHFFFAOYSA-N 1 1 343.496 3.375 10 70 EGIEMO Cc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000159622325 455390187 /nfs/dbraw/zinc/39/01/87/455390187.db2.gz DVJIQMKOOQCGKT-RDJZCZTQSA-N 1 1 339.439 3.268 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1cc(F)ccc1F ZINC000159812637 455405835 /nfs/dbraw/zinc/40/58/35/455405835.db2.gz UJSAVYATAPOCRL-UHFFFAOYSA-N 1 1 339.411 3.313 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1cc(F)ccc1F ZINC000159812637 455405840 /nfs/dbraw/zinc/40/58/40/455405840.db2.gz UJSAVYATAPOCRL-UHFFFAOYSA-N 1 1 339.411 3.313 10 70 EGIEMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COCc2ccccc2)n1 ZINC000160109027 455429256 /nfs/dbraw/zinc/42/92/56/455429256.db2.gz SFLVCIGHHHMVSO-AZUAARDMSA-N 1 1 326.440 3.105 10 70 EGIEMO Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CCOCC4CC4)C3)n2)c1 ZINC000160152674 455432495 /nfs/dbraw/zinc/43/24/95/455432495.db2.gz IPCMCWIORXBKAK-INIZCTEOSA-N 1 1 345.418 3.482 10 70 EGIEMO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160625001 455481319 /nfs/dbraw/zinc/48/13/19/455481319.db2.gz NUTJPVQPSIIHMW-QGZVFWFLSA-N 1 1 343.471 3.152 10 70 EGIEMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)OC)cc1)C(C)C ZINC000160956249 455517546 /nfs/dbraw/zinc/51/75/46/455517546.db2.gz DMPYMQZNMZPDFZ-SFHVURJKSA-N 1 1 346.471 3.085 10 70 EGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152192 455541218 /nfs/dbraw/zinc/54/12/18/455541218.db2.gz RKIFXFKVTMINHF-BEFAXECRSA-N 1 1 329.419 3.138 10 70 EGIEMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161184459 546953653 /nfs/dbraw/zinc/95/36/53/546953653.db2.gz ZRMYFBGMEBABHV-PBFPGSCMSA-N 1 1 333.457 3.486 10 70 EGIEMO c1ccc(-c2noc(CCC[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159628120 275066589 /nfs/dbraw/zinc/06/65/89/275066589.db2.gz KFHCVEKQBHHIFS-DLBZAZTESA-N 1 1 327.428 3.313 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1nccs1 ZINC000161104720 307898716 /nfs/dbraw/zinc/89/87/16/307898716.db2.gz ITONEYRJQZOGLL-NHYWBVRUSA-N 1 1 346.456 3.169 10 70 EGIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)N1c2ccccc2C[C@H]1C ZINC000159759430 455401464 /nfs/dbraw/zinc/40/14/64/455401464.db2.gz SMKRFJCCEOKGSZ-OAHLLOKOSA-N 1 1 343.496 3.374 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1c2ccccc2C[C@H]1C ZINC000159759430 455401469 /nfs/dbraw/zinc/40/14/69/455401469.db2.gz SMKRFJCCEOKGSZ-OAHLLOKOSA-N 1 1 343.496 3.374 10 70 EGIEMO Cc1cccc(OC[C@H](O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159815791 455406715 /nfs/dbraw/zinc/40/67/15/455406715.db2.gz GWPDQHZXAVWIFG-MRXNPFEDSA-N 1 1 334.485 3.144 10 70 EGIEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000160064281 455424936 /nfs/dbraw/zinc/42/49/36/455424936.db2.gz MPGIYUNKJXOPFG-KBXCAEBGSA-N 1 1 333.451 3.234 10 70 EGIEMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@](C)(O)CC ZINC000160461245 455461665 /nfs/dbraw/zinc/46/16/65/455461665.db2.gz AYDIYMFRDQBHGU-OAHLLOKOSA-N 1 1 332.366 3.127 10 70 EGIEMO Cc1cccc2[nH]c(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)nc21 ZINC000160582460 455476140 /nfs/dbraw/zinc/47/61/40/455476140.db2.gz GXSPZQBRARNDKC-HNNXBMFYSA-N 1 1 340.471 3.142 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c21 ZINC000160582460 455476144 /nfs/dbraw/zinc/47/61/44/455476144.db2.gz GXSPZQBRARNDKC-HNNXBMFYSA-N 1 1 340.471 3.142 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c21 ZINC000160582460 455476150 /nfs/dbraw/zinc/47/61/50/455476150.db2.gz GXSPZQBRARNDKC-HNNXBMFYSA-N 1 1 340.471 3.142 10 70 EGIEMO C[N@@H+](CCc1ccncc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161355500 455561811 /nfs/dbraw/zinc/56/18/11/455561811.db2.gz IYBMQVDNNYDJEG-UHFFFAOYSA-N 1 1 345.244 3.395 10 70 EGIEMO C[N@H+](CCc1ccncc1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161355500 455561818 /nfs/dbraw/zinc/56/18/18/455561818.db2.gz IYBMQVDNNYDJEG-UHFFFAOYSA-N 1 1 345.244 3.395 10 70 EGIEMO C[N@@H+](CCc1ccncc1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161355500 455561821 /nfs/dbraw/zinc/56/18/21/455561821.db2.gz IYBMQVDNNYDJEG-UHFFFAOYSA-N 1 1 345.244 3.395 10 70 EGIEMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112488 241236240 /nfs/dbraw/zinc/23/62/40/241236240.db2.gz VAQUTDYMSRBPDG-QRWLVFNGSA-N 1 1 334.419 3.490 10 70 EGIEMO CCOc1ccccc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159786120 455403679 /nfs/dbraw/zinc/40/36/79/455403679.db2.gz KVHWZOLOEMQTRE-UHFFFAOYSA-N 1 1 347.484 3.433 10 70 EGIEMO CCOc1ccccc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159786120 455403682 /nfs/dbraw/zinc/40/36/82/455403682.db2.gz KVHWZOLOEMQTRE-UHFFFAOYSA-N 1 1 347.484 3.433 10 70 EGIEMO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000159784338 455403946 /nfs/dbraw/zinc/40/39/46/455403946.db2.gz MJKKDMQFNVRONZ-IAGOWNOFSA-N 1 1 345.418 3.398 10 70 EGIEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCC(C)C)n2)[C@H](C)C1 ZINC000159897655 455413874 /nfs/dbraw/zinc/41/38/74/455413874.db2.gz RHRHRXCNTTWMKL-CVEARBPZSA-N 1 1 335.496 3.123 10 70 EGIEMO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000160924367 455514264 /nfs/dbraw/zinc/51/42/64/455514264.db2.gz VFRHRXGUXRDKDG-YLJYHZDGSA-N 1 1 341.455 3.096 10 70 EGIEMO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000160924367 455514268 /nfs/dbraw/zinc/51/42/68/455514268.db2.gz VFRHRXGUXRDKDG-YLJYHZDGSA-N 1 1 341.455 3.096 10 70 EGIEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000160987445 455521419 /nfs/dbraw/zinc/52/14/19/455521419.db2.gz ATNLXRPHOPESMF-SWLSCSKDSA-N 1 1 339.277 3.153 10 70 EGIEMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161178089 455544085 /nfs/dbraw/zinc/54/40/85/455544085.db2.gz IJWTVLJMOBJAQD-NQIIRXRSSA-N 1 1 344.499 3.377 10 70 EGIEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC2CC2)C1 ZINC000161180637 455546124 /nfs/dbraw/zinc/54/61/24/455546124.db2.gz MUIVWVDOKJXKNU-HZPDHXFCSA-N 1 1 329.362 3.240 10 70 EGIEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC2CC2)C1 ZINC000161180637 455546129 /nfs/dbraw/zinc/54/61/29/455546129.db2.gz MUIVWVDOKJXKNU-HZPDHXFCSA-N 1 1 329.362 3.240 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000161262262 455553745 /nfs/dbraw/zinc/55/37/45/455553745.db2.gz OODNWUMYCOWQIE-IBGZPJMESA-N 1 1 342.487 3.127 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000161269792 455555191 /nfs/dbraw/zinc/55/51/91/455555191.db2.gz KNHHXUVAMARSCM-CYBMUJFWSA-N 1 1 333.505 3.432 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000161269792 455555194 /nfs/dbraw/zinc/55/51/94/455555194.db2.gz KNHHXUVAMARSCM-CYBMUJFWSA-N 1 1 333.505 3.432 10 70 EGIEMO Cc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000159622177 455390569 /nfs/dbraw/zinc/39/05/69/455390569.db2.gz DVJIQMKOOQCGKT-DOTOQJQBSA-N 1 1 339.439 3.268 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C(C)C)cs1 ZINC000160564990 455474601 /nfs/dbraw/zinc/47/46/01/455474601.db2.gz TUHGOIXJIVRCDK-CQSZACIVSA-N 1 1 338.521 3.186 10 70 EGIEMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)c1C ZINC000160710011 455489744 /nfs/dbraw/zinc/48/97/44/455489744.db2.gz VUIRTHWCMTZUDC-QAPCUYQASA-N 1 1 336.501 3.239 10 70 EGIEMO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)c1C ZINC000160710011 455489748 /nfs/dbraw/zinc/48/97/48/455489748.db2.gz VUIRTHWCMTZUDC-QAPCUYQASA-N 1 1 336.501 3.239 10 70 EGIEMO Cc1ccc([C@@H]2COCCN2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000159726669 455398654 /nfs/dbraw/zinc/39/86/54/455398654.db2.gz IYYLIRFOLBZULL-SFHVURJKSA-N 1 1 332.419 3.232 10 70 EGIEMO Cn1cc([C@H]2CCC[N@H+]2CCCc2nc(-c3ccccc3)no2)cn1 ZINC000160523381 455469647 /nfs/dbraw/zinc/46/96/47/455469647.db2.gz LMRHIJLPLKCAQL-QGZVFWFLSA-N 1 1 337.427 3.240 10 70 EGIEMO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000160545694 455472600 /nfs/dbraw/zinc/47/26/00/455472600.db2.gz IACUEPYIACOCBE-YOKBYHGQSA-N 1 1 336.426 3.305 10 70 EGIEMO CCc1ccc([C@@H](CO)[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000160750450 455494761 /nfs/dbraw/zinc/49/47/61/455494761.db2.gz YCBLYCMLRUDCSO-QGZVFWFLSA-N 1 1 329.831 3.373 10 70 EGIEMO CCc1ccc([C@H](CO)[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000160750550 455495353 /nfs/dbraw/zinc/49/53/53/455495353.db2.gz YCBLYCMLRUDCSO-KRWDZBQOSA-N 1 1 329.831 3.373 10 70 EGIEMO Cc1ccc(C[N@@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)o1 ZINC000160864503 455506343 /nfs/dbraw/zinc/50/63/43/455506343.db2.gz KBBZZZAEBCTUTM-UHFFFAOYSA-N 1 1 342.439 3.125 10 70 EGIEMO Cc1ccc(C[N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)o1 ZINC000160864503 455506347 /nfs/dbraw/zinc/50/63/47/455506347.db2.gz KBBZZZAEBCTUTM-UHFFFAOYSA-N 1 1 342.439 3.125 10 70 EGIEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161007698 455522970 /nfs/dbraw/zinc/52/29/70/455522970.db2.gz NFZKHIAXPCPMKY-WRWLIDTKSA-N 1 1 341.455 3.348 10 70 EGIEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161007698 455522974 /nfs/dbraw/zinc/52/29/74/455522974.db2.gz NFZKHIAXPCPMKY-WRWLIDTKSA-N 1 1 341.455 3.348 10 70 EGIEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000161050385 455527732 /nfs/dbraw/zinc/52/77/32/455527732.db2.gz BYNJWJGGHYXJLR-XLIONFOSSA-N 1 1 341.455 3.296 10 70 EGIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000161148796 455539794 /nfs/dbraw/zinc/53/97/94/455539794.db2.gz NERWSGJRVZWHMS-UGSOOPFHSA-N 1 1 329.419 3.279 10 70 EGIEMO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000159633057 534252996 /nfs/dbraw/zinc/25/29/96/534252996.db2.gz FMHAGBDHNPVMKF-VCBZYWHSSA-N 1 1 327.472 3.409 10 70 EGIEMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCCCS(C)(=O)=O)C2CC2)o1 ZINC000161432726 546956085 /nfs/dbraw/zinc/95/60/85/546956085.db2.gz UEKMBBUPTVFGJH-BBRMVZONSA-N 1 1 325.474 3.192 10 70 EGIEMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCCS(C)(=O)=O)C2CC2)o1 ZINC000161432726 546956087 /nfs/dbraw/zinc/95/60/87/546956087.db2.gz UEKMBBUPTVFGJH-BBRMVZONSA-N 1 1 325.474 3.192 10 70 EGIEMO CCC(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160512672 264876542 /nfs/dbraw/zinc/87/65/42/264876542.db2.gz JLMSJQYXCDHQQB-QGZVFWFLSA-N 1 1 346.475 3.277 10 70 EGIEMO Brc1ccc(OCC[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217345288 266195065 /nfs/dbraw/zinc/19/50/65/266195065.db2.gz FKZMDOXRHTUKTJ-CVEARBPZSA-N 1 1 340.261 3.471 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1nccs1 ZINC000161095939 307898414 /nfs/dbraw/zinc/89/84/14/307898414.db2.gz OTAXYNCVENMHJW-YPMHNXCESA-N 1 1 349.456 3.228 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000159829533 455408129 /nfs/dbraw/zinc/40/81/29/455408129.db2.gz ZATRZMSECINFBI-AWEZNQCLSA-N 1 1 335.517 3.186 10 70 EGIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702603 455397279 /nfs/dbraw/zinc/39/72/79/455397279.db2.gz VFUAYBYFAGAYMN-GXSJLCMTSA-N 1 1 332.778 3.027 10 70 EGIEMO CCC(CC)(C[NH2+]Cc1nc(-c2cccc(C)c2)no1)C(=O)OC ZINC000159671286 455394793 /nfs/dbraw/zinc/39/47/93/455394793.db2.gz OAKUJHZDOJFERR-UHFFFAOYSA-N 1 1 331.416 3.114 10 70 EGIEMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842275 455408842 /nfs/dbraw/zinc/40/88/42/455408842.db2.gz PCSNEEBLTFGXBA-IRXDYDNUSA-N 1 1 339.483 3.450 10 70 EGIEMO Cc1nn(C)c2ncc(C[N@H+](CCc3nccs3)C(C)C)cc12 ZINC000159888358 455412390 /nfs/dbraw/zinc/41/23/90/455412390.db2.gz IFSXLGWXORFQCW-UHFFFAOYSA-N 1 1 329.473 3.186 10 70 EGIEMO Cc1ccc([C@@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 ZINC000161029482 455524952 /nfs/dbraw/zinc/52/49/52/455524952.db2.gz UWLIMGHTCJXGII-SFHVURJKSA-N 1 1 348.487 3.246 10 70 EGIEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000161237787 455551239 /nfs/dbraw/zinc/55/12/39/455551239.db2.gz PZOJRONDJVXIMR-ZWKOTPCHSA-N 1 1 338.455 3.408 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000161418375 455568869 /nfs/dbraw/zinc/56/88/69/455568869.db2.gz GALVWRMLFYEMCB-ZDUSSCGKSA-N 1 1 343.456 3.394 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000161418375 455568874 /nfs/dbraw/zinc/56/88/74/455568874.db2.gz GALVWRMLFYEMCB-ZDUSSCGKSA-N 1 1 343.456 3.394 10 70 EGIEMO Brc1ccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000217345211 266194595 /nfs/dbraw/zinc/19/45/95/266194595.db2.gz FKZMDOXRHTUKTJ-HZPDHXFCSA-N 1 1 340.261 3.471 10 70 EGIEMO Brc1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000217346289 266194751 /nfs/dbraw/zinc/19/47/51/266194751.db2.gz MVAVUTUDNGSJEX-HZPDHXFCSA-N 1 1 340.261 3.471 10 70 EGIEMO CC[N@H+]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000159513811 455382152 /nfs/dbraw/zinc/38/21/52/455382152.db2.gz IVICANSJZJADJV-UHFFFAOYSA-N 1 1 330.259 3.231 10 70 EGIEMO COc1ccc(NC(=O)CC[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000159902873 455414564 /nfs/dbraw/zinc/41/45/64/455414564.db2.gz BUUMMSOETYBHDA-UHFFFAOYSA-N 1 1 347.484 3.433 10 70 EGIEMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160122760 455430770 /nfs/dbraw/zinc/43/07/70/455430770.db2.gz ZRWQKNOOKXIDNJ-KGLIPLIRSA-N 1 1 335.883 3.302 10 70 EGIEMO Cc1[nH+]ccn1-c1cncc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160573938 455475711 /nfs/dbraw/zinc/47/57/11/455475711.db2.gz IAGWGLZKOPLHLL-DLBZAZTESA-N 1 1 335.411 3.303 10 70 EGIEMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160780729 455497988 /nfs/dbraw/zinc/49/79/88/455497988.db2.gz PFRSLNVCTFKQII-SQGPQFPESA-N 1 1 330.472 3.257 10 70 EGIEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161111812 455534600 /nfs/dbraw/zinc/53/46/00/455534600.db2.gz BJQORJGZKLEJDA-SQGPQFPESA-N 1 1 330.472 3.257 10 70 EGIEMO Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000161130966 455538349 /nfs/dbraw/zinc/53/83/49/455538349.db2.gz NASYFHVSMNIMTG-CYBMUJFWSA-N 1 1 337.261 3.068 10 70 EGIEMO Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000161130966 455538352 /nfs/dbraw/zinc/53/83/52/455538352.db2.gz NASYFHVSMNIMTG-CYBMUJFWSA-N 1 1 337.261 3.068 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000161419392 455568936 /nfs/dbraw/zinc/56/89/36/455568936.db2.gz OCUPBWVLKXXQGY-CQSZACIVSA-N 1 1 334.464 3.409 10 70 EGIEMO CC[N@H+](CCc1nccs1)CC(=O)N(c1ccccc1)C(C)C ZINC000159395161 528608953 /nfs/dbraw/zinc/60/89/53/528608953.db2.gz VVEXRUKTSWMPCI-UHFFFAOYSA-N 1 1 331.485 3.449 10 70 EGIEMO CC[N@@H+](CCc1nccs1)CC(=O)N(c1ccccc1)C(C)C ZINC000159395161 528608956 /nfs/dbraw/zinc/60/89/56/528608956.db2.gz VVEXRUKTSWMPCI-UHFFFAOYSA-N 1 1 331.485 3.449 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160104019 225339389 /nfs/dbraw/zinc/33/93/89/225339389.db2.gz KVZFOXVGANBXBJ-QGZVFWFLSA-N 1 1 328.460 3.119 10 70 EGIEMO C[C@H]1C[N@H+](C2CCN(C(=O)CC/C=C/c3ccccc3)CC2)CCO1 ZINC000159540370 455384498 /nfs/dbraw/zinc/38/44/98/455384498.db2.gz AAHCNMJKZZBMGH-YXOJNZSOSA-N 1 1 342.483 3.192 10 70 EGIEMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OCCC(C)C ZINC000159620338 455390554 /nfs/dbraw/zinc/39/05/54/455390554.db2.gz SOJZDFOTHBAUNH-NVXWUHKLSA-N 1 1 348.487 3.206 10 70 EGIEMO CN(CC[N@@H+](C)Cc1ccc([S@](C)=O)cc1)Cc1ccc(F)cc1 ZINC000160043207 455424429 /nfs/dbraw/zinc/42/44/29/455424429.db2.gz WUPJJQWBYFBMTF-XMMPIXPASA-N 1 1 348.487 3.127 10 70 EGIEMO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000160043207 455424432 /nfs/dbraw/zinc/42/44/32/455424432.db2.gz WUPJJQWBYFBMTF-XMMPIXPASA-N 1 1 348.487 3.127 10 70 EGIEMO CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000160043207 455424435 /nfs/dbraw/zinc/42/44/35/455424435.db2.gz WUPJJQWBYFBMTF-XMMPIXPASA-N 1 1 348.487 3.127 10 70 EGIEMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]1COc2ccccc21 ZINC000160372767 455452282 /nfs/dbraw/zinc/45/22/82/455452282.db2.gz IYWBBZLGULDUAH-CRAIPNDOSA-N 1 1 345.487 3.115 10 70 EGIEMO CC[N@@H+](C)[C@@H](C(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000160390102 455454205 /nfs/dbraw/zinc/45/42/05/455454205.db2.gz VEBBPZKNPNWJPD-LJQANCHMSA-N 1 1 336.439 3.181 10 70 EGIEMO CC[N@H+](C)[C@@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000160390102 455454212 /nfs/dbraw/zinc/45/42/12/455454212.db2.gz VEBBPZKNPNWJPD-LJQANCHMSA-N 1 1 336.439 3.181 10 70 EGIEMO CC[N@@H+](C)[C@@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000160390102 455454214 /nfs/dbraw/zinc/45/42/14/455454214.db2.gz VEBBPZKNPNWJPD-LJQANCHMSA-N 1 1 336.439 3.181 10 70 EGIEMO CCc1nccn1[C@H]1CCC[N@@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159463903 455378009 /nfs/dbraw/zinc/37/80/09/455378009.db2.gz RIODCYAXOSGGTB-IBGZPJMESA-N 1 1 344.478 3.354 10 70 EGIEMO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000159631679 455391059 /nfs/dbraw/zinc/39/10/59/455391059.db2.gz AYVBHKOXZCLYEG-BEFAXECRSA-N 1 1 341.499 3.484 10 70 EGIEMO CC1(C)CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000159631769 455391162 /nfs/dbraw/zinc/39/11/62/455391162.db2.gz AYVBHKOXZCLYEG-DNVCBOLYSA-N 1 1 341.499 3.484 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000159812920 455405641 /nfs/dbraw/zinc/40/56/41/455405641.db2.gz QGHQTDBXNUHQIG-AWEZNQCLSA-N 1 1 349.475 3.413 10 70 EGIEMO COc1ccccc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159928194 455416925 /nfs/dbraw/zinc/41/69/25/455416925.db2.gz ZTLNATBGOGMPKM-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO COc1ccccc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159928194 455416932 /nfs/dbraw/zinc/41/69/32/455416932.db2.gz ZTLNATBGOGMPKM-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO Cc1ccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1F ZINC000159953348 455418501 /nfs/dbraw/zinc/41/85/01/455418501.db2.gz GWPCSBULHOMHBD-UHFFFAOYSA-N 1 1 349.475 3.160 10 70 EGIEMO CN(CCN1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000160292790 455445037 /nfs/dbraw/zinc/44/50/37/455445037.db2.gz PKVRQJULUDVRDJ-UHFFFAOYSA-N 1 1 333.495 3.208 10 70 EGIEMO COc1cccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160548255 455472694 /nfs/dbraw/zinc/47/26/94/455472694.db2.gz DHICODRWOMJQAU-SJLPKXTDSA-N 1 1 332.488 3.425 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1nccs1 ZINC000161103434 455533445 /nfs/dbraw/zinc/53/34/45/455533445.db2.gz LIWCFVLUEDJTHO-WCQYABFASA-N 1 1 335.498 3.219 10 70 EGIEMO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCc2ccccc2CC1 ZINC000217223139 456032230 /nfs/dbraw/zinc/03/22/30/456032230.db2.gz OYSPWJAVNRVUAA-UHFFFAOYSA-N 1 1 342.405 3.134 10 70 EGIEMO COc1cc(Cl)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159710472 455397163 /nfs/dbraw/zinc/39/71/63/455397163.db2.gz BMDMSTFHJJGOTG-NXEZZACHSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1cc(Cl)c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159710472 455397165 /nfs/dbraw/zinc/39/71/65/455397165.db2.gz BMDMSTFHJJGOTG-NXEZZACHSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1ccccc1-c1nnc(C[NH+]2CCC(OCC(C)C)CC2)o1 ZINC000159475778 455379257 /nfs/dbraw/zinc/37/92/57/455379257.db2.gz HTCHQZMGZLGNDP-UHFFFAOYSA-N 1 1 345.443 3.382 10 70 EGIEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000159804101 455405892 /nfs/dbraw/zinc/40/58/92/455405892.db2.gz VHUVFCWZRJGQOX-QAPCUYQASA-N 1 1 329.488 3.341 10 70 EGIEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159842025 455409434 /nfs/dbraw/zinc/40/94/34/455409434.db2.gz PCSNEEBLTFGXBA-DLBZAZTESA-N 1 1 339.483 3.450 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000159878363 455412732 /nfs/dbraw/zinc/41/27/32/455412732.db2.gz YSXJRSXRHRRBCR-HOTGVXAUSA-N 1 1 337.533 3.433 10 70 EGIEMO CCN1CCN([C@@H](C)C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000159993466 455421663 /nfs/dbraw/zinc/42/16/63/455421663.db2.gz KQIKFMMCROJNIH-MAUBAPBLSA-N 1 1 335.923 3.359 10 70 EGIEMO C[N@@H+](CCNC(=O)Cc1c[nH]c2cc(F)ccc12)C1CCCCC1 ZINC000161297588 455556297 /nfs/dbraw/zinc/55/62/97/455556297.db2.gz PMGQMGNHHHXJNR-UHFFFAOYSA-N 1 1 331.435 3.230 10 70 EGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000161303366 455557303 /nfs/dbraw/zinc/55/73/03/455557303.db2.gz XXBGTKKOWYPIFH-PBHICJAKSA-N 1 1 345.487 3.130 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000161419532 455568972 /nfs/dbraw/zinc/56/89/72/455568972.db2.gz OCUPBWVLKXXQGY-AWEZNQCLSA-N 1 1 334.464 3.409 10 70 EGIEMO Cc1cc2c(ncnc2N2CC[NH+]([C@@H](C)c3ccccn3)CC2)s1 ZINC000160079839 534074691 /nfs/dbraw/zinc/07/46/91/534074691.db2.gz SXHPKRLPRRUIKZ-AWEZNQCLSA-N 1 1 339.468 3.278 10 70 EGIEMO CC[N@@H+](CCc1nccs1)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000159436821 528608981 /nfs/dbraw/zinc/60/89/81/528608981.db2.gz MFNNNRHISGBEPI-INIZCTEOSA-N 1 1 334.485 3.064 10 70 EGIEMO Cc1cccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160771009 546949630 /nfs/dbraw/zinc/94/96/30/546949630.db2.gz YPULJQGNFWZQIT-VQIMIIECSA-N 1 1 327.428 3.172 10 70 EGIEMO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC000217159193 241238020 /nfs/dbraw/zinc/23/80/20/241238020.db2.gz KULDHTMGCYYQNH-FQEVSTJZSA-N 1 1 338.455 3.256 10 70 EGIEMO CN(C)C(=O)Sc1ccc(CSCC[NH+]2CCOCC2)cc1 ZINC000160070222 225332453 /nfs/dbraw/zinc/33/24/53/225332453.db2.gz ILYFOQVUKULIME-UHFFFAOYSA-N 1 1 340.514 3.026 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000160104144 225338612 /nfs/dbraw/zinc/33/86/12/225338612.db2.gz KVZFOXVGANBXBJ-KRWDZBQOSA-N 1 1 328.460 3.119 10 70 EGIEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)cc1Br ZINC000161177930 276181599 /nfs/dbraw/zinc/18/15/99/276181599.db2.gz OWUDQEYYDIKLJB-ZDUSSCGKSA-N 1 1 339.277 3.314 10 70 EGIEMO O=C(NCCC1=CCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160147441 307885476 /nfs/dbraw/zinc/88/54/76/307885476.db2.gz TVZSPPCIZYCLIZ-GOSISDBHSA-N 1 1 330.497 3.393 10 70 EGIEMO CCCCCOc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159619649 455390375 /nfs/dbraw/zinc/39/03/75/455390375.db2.gz ZNGXPTXMNLFXQD-RDJZCZTQSA-N 1 1 348.487 3.350 10 70 EGIEMO CCCc1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159637308 455391658 /nfs/dbraw/zinc/39/16/58/455391658.db2.gz PEODLBXWPLFHHK-UHFFFAOYSA-N 1 1 332.488 3.070 10 70 EGIEMO CCOc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OCC(C)C ZINC000159695898 455396334 /nfs/dbraw/zinc/39/63/34/455396334.db2.gz CJPOISWJCMYCGT-DOTOQJQBSA-N 1 1 348.487 3.206 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)Cc1ccccc1F ZINC000159820505 455406861 /nfs/dbraw/zinc/40/68/61/455406861.db2.gz OUWOJHNXNSKFJC-UHFFFAOYSA-N 1 1 349.475 3.194 10 70 EGIEMO c1cn(Cc2ccccc2)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000160906706 455512083 /nfs/dbraw/zinc/51/20/83/455512083.db2.gz LMYNEQBRHWUAKM-LJQANCHMSA-N 1 1 347.466 3.260 10 70 EGIEMO c1cn(Cc2ccccc2)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000160906706 455512087 /nfs/dbraw/zinc/51/20/87/455512087.db2.gz LMYNEQBRHWUAKM-LJQANCHMSA-N 1 1 347.466 3.260 10 70 EGIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000161050277 455528081 /nfs/dbraw/zinc/52/80/81/455528081.db2.gz BYNJWJGGHYXJLR-YLJYHZDGSA-N 1 1 341.455 3.296 10 70 EGIEMO OC[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000161431523 455569855 /nfs/dbraw/zinc/56/98/55/455569855.db2.gz KUOOQAKJSZOPJW-HNNXBMFYSA-N 1 1 346.228 3.149 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000161428064 455569919 /nfs/dbraw/zinc/56/99/19/455569919.db2.gz HVINJIAAXCCZRW-AWEZNQCLSA-N 1 1 349.276 3.440 10 70 EGIEMO COc1cccc(CCC[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000160038477 533452674 /nfs/dbraw/zinc/45/26/74/533452674.db2.gz YCZNFSTUIICSJE-KRWDZBQOSA-N 1 1 332.469 3.466 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000160038477 533452679 /nfs/dbraw/zinc/45/26/79/533452679.db2.gz YCZNFSTUIICSJE-KRWDZBQOSA-N 1 1 332.469 3.466 10 70 EGIEMO COc1cccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159914980 455415937 /nfs/dbraw/zinc/41/59/37/455415937.db2.gz WYFCTCMKEJNAKV-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO COc1cccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159914980 455415942 /nfs/dbraw/zinc/41/59/42/455415942.db2.gz WYFCTCMKEJNAKV-UHFFFAOYSA-N 1 1 333.457 3.043 10 70 EGIEMO CCOC[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159986837 455419947 /nfs/dbraw/zinc/41/99/47/455419947.db2.gz UMPWNLBHVWEISL-NSHDSACASA-N 1 1 338.249 3.184 10 70 EGIEMO C[C@H](C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C)c1cccc(Br)c1 ZINC000159673336 455394946 /nfs/dbraw/zinc/39/49/46/455394946.db2.gz QWABOKDLAXESGX-BZPMIXESSA-N 1 1 339.277 3.138 10 70 EGIEMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159912917 455414732 /nfs/dbraw/zinc/41/47/32/455414732.db2.gz IAAOLVAEJFJCGC-KRWDZBQOSA-N 1 1 348.512 3.453 10 70 EGIEMO CCOC[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159986837 455419930 /nfs/dbraw/zinc/41/99/30/455419930.db2.gz UMPWNLBHVWEISL-NSHDSACASA-N 1 1 338.249 3.184 10 70 EGIEMO CCOC[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159986837 455419944 /nfs/dbraw/zinc/41/99/44/455419944.db2.gz UMPWNLBHVWEISL-NSHDSACASA-N 1 1 338.249 3.184 10 70 EGIEMO COc1cccc(CCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000160082569 455427245 /nfs/dbraw/zinc/42/72/45/455427245.db2.gz RTHKEKXKIDZGKY-SFHVURJKSA-N 1 1 325.456 3.457 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160375323 455452002 /nfs/dbraw/zinc/45/20/02/455452002.db2.gz RQZLFJOCZIIKKK-OAGGEKHMSA-N 1 1 336.426 3.305 10 70 EGIEMO Brc1ccc2[nH]c(C[N@@H+]3CCCSCC3)nc2c1 ZINC000161184263 455545752 /nfs/dbraw/zinc/54/57/52/455545752.db2.gz DBCAEVQBJBAKQW-UHFFFAOYSA-N 1 1 326.263 3.264 10 70 EGIEMO Brc1ccc2[nH]c(C[N@H+]3CCCSCC3)nc2c1 ZINC000161184263 455545756 /nfs/dbraw/zinc/54/57/56/455545756.db2.gz DBCAEVQBJBAKQW-UHFFFAOYSA-N 1 1 326.263 3.264 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000160092707 225335769 /nfs/dbraw/zinc/33/57/69/225335769.db2.gz FXJZXTIOMFLBRC-QGZVFWFLSA-N 1 1 329.444 3.274 10 70 EGIEMO OCCCC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000159796978 275045797 /nfs/dbraw/zinc/04/57/97/275045797.db2.gz YPDPDEFAKOTUCW-UHFFFAOYSA-N 1 1 338.249 3.062 10 70 EGIEMO OCCCC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CC1 ZINC000159796978 275045799 /nfs/dbraw/zinc/04/57/99/275045799.db2.gz YPDPDEFAKOTUCW-UHFFFAOYSA-N 1 1 338.249 3.062 10 70 EGIEMO OCCCC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CC1 ZINC000159796978 275045800 /nfs/dbraw/zinc/04/58/00/275045800.db2.gz YPDPDEFAKOTUCW-UHFFFAOYSA-N 1 1 338.249 3.062 10 70 EGIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1nccs1 ZINC000161095822 307898355 /nfs/dbraw/zinc/89/83/55/307898355.db2.gz OTAXYNCVENMHJW-WCQYABFASA-N 1 1 349.456 3.228 10 70 EGIEMO C[C@H]1CCC[C@H](OCCCCCC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000159668996 455394352 /nfs/dbraw/zinc/39/43/52/455394352.db2.gz QLNARLNKDKZJFJ-HKUYNNGSSA-N 1 1 336.520 3.449 10 70 EGIEMO COc1cc(Cl)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159710345 455397130 /nfs/dbraw/zinc/39/71/30/455397130.db2.gz BMDMSTFHJJGOTG-UWVGGRQHSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1cc(Cl)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159710345 455397132 /nfs/dbraw/zinc/39/71/32/455397132.db2.gz BMDMSTFHJJGOTG-UWVGGRQHSA-N 1 1 331.243 3.088 10 70 EGIEMO CCN(Cc1ccccc1)C(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159751947 455400344 /nfs/dbraw/zinc/40/03/44/455400344.db2.gz MOUIKKPOMVBPBC-UHFFFAOYSA-N 1 1 345.512 3.445 10 70 EGIEMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159746615 455400818 /nfs/dbraw/zinc/40/08/18/455400818.db2.gz FJXBQHQOVBMFKX-OAHLLOKOSA-N 1 1 325.522 3.289 10 70 EGIEMO CC(C)[N@@H+](CCC(=O)NCC1CCCCC1)CCc1nccs1 ZINC000159941843 455417601 /nfs/dbraw/zinc/41/76/01/455417601.db2.gz IIXGWXMMQBIONR-UHFFFAOYSA-N 1 1 337.533 3.483 10 70 EGIEMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c3c(c2)OCCO3)cc1 ZINC000159855212 455410324 /nfs/dbraw/zinc/41/03/24/455410324.db2.gz VYAMXNZEFKXQOX-UHFFFAOYSA-N 1 1 329.396 3.107 10 70 EGIEMO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160491444 455465601 /nfs/dbraw/zinc/46/56/01/455465601.db2.gz WRPBZZRZUUOBLF-XLIONFOSSA-N 1 1 341.455 3.096 10 70 EGIEMO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160491444 455465608 /nfs/dbraw/zinc/46/56/08/455465608.db2.gz WRPBZZRZUUOBLF-XLIONFOSSA-N 1 1 341.455 3.096 10 70 EGIEMO Cc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)o1 ZINC000160875611 455507724 /nfs/dbraw/zinc/50/77/24/455507724.db2.gz PNOPPTVCDZCUFW-UHFFFAOYSA-N 1 1 339.395 3.381 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000161092406 455532487 /nfs/dbraw/zinc/53/24/87/455532487.db2.gz NWJIJGMTODHLAO-RNCFNFMXSA-N 1 1 325.384 3.489 10 70 EGIEMO CCC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161101499 455534137 /nfs/dbraw/zinc/53/41/37/455534137.db2.gz UGCXIQYYEICLFT-ZDUSSCGKSA-N 1 1 329.531 3.445 10 70 EGIEMO CCC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161101499 455534143 /nfs/dbraw/zinc/53/41/43/455534143.db2.gz UGCXIQYYEICLFT-ZDUSSCGKSA-N 1 1 329.531 3.445 10 70 EGIEMO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC)c1nccs1 ZINC000161139922 455539131 /nfs/dbraw/zinc/53/91/31/455539131.db2.gz UYOWZBSRBIULLV-YDHLFZDLSA-N 1 1 347.484 3.458 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000161305155 455557541 /nfs/dbraw/zinc/55/75/41/455557541.db2.gz PSCNQZPOZMIYEB-AWEZNQCLSA-N 1 1 334.464 3.409 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000161425144 455569548 /nfs/dbraw/zinc/56/95/48/455569548.db2.gz PXYSBZALTZXLIY-AWEZNQCLSA-N 1 1 334.851 3.210 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000159568077 264860224 /nfs/dbraw/zinc/86/02/24/264860224.db2.gz DALMKRAIXFDBGI-NXEZZACHSA-N 1 1 345.668 3.188 10 70 EGIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000159568077 264860228 /nfs/dbraw/zinc/86/02/28/264860228.db2.gz DALMKRAIXFDBGI-NXEZZACHSA-N 1 1 345.668 3.188 10 70 EGIEMO Clc1ccc(C2=NO[C@@H](C[N@@H+](C[C@@H]3CCOC3)C3CC3)C2)cc1 ZINC000159745260 455400531 /nfs/dbraw/zinc/40/05/31/455400531.db2.gz UBHBPYNCTVPXPW-SUMWQHHRSA-N 1 1 334.847 3.334 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160375179 455452162 /nfs/dbraw/zinc/45/21/62/455452162.db2.gz RQZLFJOCZIIKKK-BZUAXINKSA-N 1 1 336.426 3.305 10 70 EGIEMO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000160703351 455489963 /nfs/dbraw/zinc/48/99/63/455489963.db2.gz FGWSWZOXONRPKH-NFAWXSAZSA-N 1 1 337.261 3.098 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)[nH]c21 ZINC000160413004 455456241 /nfs/dbraw/zinc/45/62/41/455456241.db2.gz LRMJOHASWZNLOK-GOSISDBHSA-N 1 1 348.450 3.152 10 70 EGIEMO Cc1cccc2nc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)[nH]c21 ZINC000160413004 455456244 /nfs/dbraw/zinc/45/62/44/455456244.db2.gz LRMJOHASWZNLOK-GOSISDBHSA-N 1 1 348.450 3.152 10 70 EGIEMO Cc1cccc2c1ncnc2N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160471260 455463438 /nfs/dbraw/zinc/46/34/38/455463438.db2.gz CFLQNORCQCYLSF-BBWFWOEESA-N 1 1 340.471 3.016 10 70 EGIEMO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccccc1Cl ZINC000160602418 455479218 /nfs/dbraw/zinc/47/92/18/455479218.db2.gz NDJHWHWRNZIQCR-LSBZLQRGSA-N 1 1 348.874 3.072 10 70 EGIEMO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccccc1Cl ZINC000160602418 455479220 /nfs/dbraw/zinc/47/92/20/455479220.db2.gz NDJHWHWRNZIQCR-LSBZLQRGSA-N 1 1 348.874 3.072 10 70 EGIEMO COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccc(C)o2)cc1C ZINC000160877718 455507564 /nfs/dbraw/zinc/50/75/64/455507564.db2.gz ANSUFXNQVVLUCD-UHFFFAOYSA-N 1 1 331.412 3.389 10 70 EGIEMO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000160902895 455512387 /nfs/dbraw/zinc/51/23/87/455512387.db2.gz XXIFGQQDGRUOQF-HNNXBMFYSA-N 1 1 344.459 3.003 10 70 EGIEMO CCCn1c(C)nnc1C[N@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000160902895 455512390 /nfs/dbraw/zinc/51/23/90/455512390.db2.gz XXIFGQQDGRUOQF-HNNXBMFYSA-N 1 1 344.459 3.003 10 70 EGIEMO Cc1cc(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1C1CC1 ZINC000161113016 455534984 /nfs/dbraw/zinc/53/49/84/455534984.db2.gz RDGPKKCHNHBDLE-OXQOHEQNSA-N 1 1 330.472 3.250 10 70 EGIEMO Cc1cc(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1C1CC1 ZINC000161113016 455534988 /nfs/dbraw/zinc/53/49/88/455534988.db2.gz RDGPKKCHNHBDLE-OXQOHEQNSA-N 1 1 330.472 3.250 10 70 EGIEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1Br ZINC000161177801 455544022 /nfs/dbraw/zinc/54/40/22/455544022.db2.gz OWUDQEYYDIKLJB-CYBMUJFWSA-N 1 1 339.277 3.314 10 70 EGIEMO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1cnccn1 ZINC000161223488 274258414 /nfs/dbraw/zinc/25/84/14/274258414.db2.gz RWJOJDBHPJWDGE-ZWNOBZJWSA-N 1 1 334.217 3.414 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1nccs1 ZINC000161105032 307898649 /nfs/dbraw/zinc/89/86/49/307898649.db2.gz ITONEYRJQZOGLL-IAQYHMDHSA-N 1 1 346.456 3.169 10 70 EGIEMO COc1ccc(C[C@H](C)C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000160656888 455484941 /nfs/dbraw/zinc/48/49/41/455484941.db2.gz VKLUCCIWMKNVPN-INIZCTEOSA-N 1 1 332.488 3.255 10 70 EGIEMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159893930 455413491 /nfs/dbraw/zinc/41/34/91/455413491.db2.gz BEJXYYWMKGRIHA-ZDUSSCGKSA-N 1 1 333.863 3.354 10 70 EGIEMO CCc1ccc(/C=C/C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000160406602 455454962 /nfs/dbraw/zinc/45/49/62/455454962.db2.gz FSCGLTQWNCNJQF-VQHVLOKHSA-N 1 1 339.439 3.344 10 70 EGIEMO Cn1cc([C@@H]2CCC[N@H+]2CCCc2nc(-c3ccccc3)no2)cn1 ZINC000160523271 455469973 /nfs/dbraw/zinc/46/99/73/455469973.db2.gz LMRHIJLPLKCAQL-KRWDZBQOSA-N 1 1 337.427 3.240 10 70 EGIEMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000160892379 455509850 /nfs/dbraw/zinc/50/98/50/455509850.db2.gz XWZXDBQRRHGZSR-KRWDZBQOSA-N 1 1 327.465 3.046 10 70 EGIEMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000160892379 455509855 /nfs/dbraw/zinc/50/98/55/455509855.db2.gz XWZXDBQRRHGZSR-KRWDZBQOSA-N 1 1 327.465 3.046 10 70 EGIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1nccs1 ZINC000161093019 455533091 /nfs/dbraw/zinc/53/30/91/455533091.db2.gz ABIJXGYRGQEXCS-DGCLKSJQSA-N 1 1 349.456 3.228 10 70 EGIEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(SC)cc1 ZINC000217184904 456031773 /nfs/dbraw/zinc/03/17/73/456031773.db2.gz PYVFNULGFKCJPZ-INIZCTEOSA-N 1 1 335.517 3.472 10 70 EGIEMO CC(C)CCn1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000160383901 546946986 /nfs/dbraw/zinc/94/69/86/546946986.db2.gz LMLCMTYLBFCNDC-SJORKVTESA-N 1 1 347.507 3.408 10 70 EGIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccn2)s1 ZINC000160549466 546947925 /nfs/dbraw/zinc/94/79/25/546947925.db2.gz VEMAOIVIVZBVPI-CQSZACIVSA-N 1 1 344.484 3.055 10 70 EGIEMO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000160038559 533453184 /nfs/dbraw/zinc/45/31/84/533453184.db2.gz YCZNFSTUIICSJE-QGZVFWFLSA-N 1 1 332.469 3.466 10 70 EGIEMO COc1cccc(CCC[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000160038559 533453186 /nfs/dbraw/zinc/45/31/86/533453186.db2.gz YCZNFSTUIICSJE-QGZVFWFLSA-N 1 1 332.469 3.466 10 70 EGIEMO Cc1cc(Cl)ncc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000159482513 140938818 /nfs/dbraw/zinc/93/88/18/140938818.db2.gz IJBDMHLUCAMIHO-UHFFFAOYSA-N 1 1 347.850 3.264 10 70 EGIEMO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160137569 225346902 /nfs/dbraw/zinc/34/69/02/225346902.db2.gz CRACYRFCUQAKDM-LBPRGKRZSA-N 1 1 331.847 3.344 10 70 EGIEMO CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1nccs1 ZINC000161141238 307899259 /nfs/dbraw/zinc/89/92/59/307899259.db2.gz DGJLBPFKJVMWOE-VHDGCEQUSA-N 1 1 345.468 3.212 10 70 EGIEMO COc1cc(Cl)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159710587 455397261 /nfs/dbraw/zinc/39/72/61/455397261.db2.gz BMDMSTFHJJGOTG-VHSXEESVSA-N 1 1 331.243 3.088 10 70 EGIEMO COc1cc(Cl)c(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159710587 455397263 /nfs/dbraw/zinc/39/72/63/455397263.db2.gz BMDMSTFHJJGOTG-VHSXEESVSA-N 1 1 331.243 3.088 10 70 EGIEMO C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000159803966 455405173 /nfs/dbraw/zinc/40/51/73/455405173.db2.gz VHUVFCWZRJGQOX-MAUKXSAKSA-N 1 1 329.488 3.341 10 70 EGIEMO Cn1cc[nH+]c1CC1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000160690670 455489253 /nfs/dbraw/zinc/48/92/53/455489253.db2.gz DDNUERAHWVTZPR-UHFFFAOYSA-N 1 1 339.468 3.398 10 70 EGIEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCOCC2CC2)C1 ZINC000161180528 455545983 /nfs/dbraw/zinc/54/59/83/455545983.db2.gz MUIVWVDOKJXKNU-CVEARBPZSA-N 1 1 329.362 3.240 10 70 EGIEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCOCC2CC2)C1 ZINC000161180528 455545989 /nfs/dbraw/zinc/54/59/89/455545989.db2.gz MUIVWVDOKJXKNU-CVEARBPZSA-N 1 1 329.362 3.240 10 70 EGIEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000161237692 455551335 /nfs/dbraw/zinc/55/13/35/455551335.db2.gz PZOJRONDJVXIMR-MSOLQXFVSA-N 1 1 338.455 3.408 10 70 EGIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000161344251 455560737 /nfs/dbraw/zinc/56/07/37/455560737.db2.gz GDFAPBRWGONDCN-AWEZNQCLSA-N 1 1 336.386 3.279 10 70 EGIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000161425008 455569388 /nfs/dbraw/zinc/56/93/88/455569388.db2.gz PXYSBZALTZXLIY-CQSZACIVSA-N 1 1 334.851 3.210 10 70 EGIEMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160122863 140953697 /nfs/dbraw/zinc/95/36/97/140953697.db2.gz ZRWQKNOOKXIDNJ-KBPBESRZSA-N 1 1 335.883 3.302 10 70 EGIEMO Brc1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217346372 266194795 /nfs/dbraw/zinc/19/47/95/266194795.db2.gz MVAVUTUDNGSJEX-CVEARBPZSA-N 1 1 340.261 3.471 10 70 EGIEMO O=C(NCCC1=CCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160147306 307885276 /nfs/dbraw/zinc/88/52/76/307885276.db2.gz TVZSPPCIZYCLIZ-SFHVURJKSA-N 1 1 330.497 3.393 10 70 EGIEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160386302 455453727 /nfs/dbraw/zinc/45/37/27/455453727.db2.gz VMFSKCYSTOIYTK-CMPLNLGQSA-N 1 1 330.325 3.153 10 70 EGIEMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@](C)(O)CC ZINC000160425047 455457455 /nfs/dbraw/zinc/45/74/55/455457455.db2.gz HFKICODRBNSYKJ-HNNXBMFYSA-N 1 1 333.259 3.415 10 70 EGIEMO CCN(C(=O)c1ccc[nH]c1=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000160825899 455502386 /nfs/dbraw/zinc/50/23/86/455502386.db2.gz NJKHRCDBWRLZGI-RDJZCZTQSA-N 1 1 339.439 3.085 10 70 EGIEMO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000159668849 455394867 /nfs/dbraw/zinc/39/48/67/455394867.db2.gz QLNARLNKDKZJFJ-MJGOQNOKSA-N 1 1 336.520 3.449 10 70 EGIEMO Cc1cccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159773485 455402772 /nfs/dbraw/zinc/40/27/72/455402772.db2.gz KLTHUEKDNOWANJ-UHFFFAOYSA-N 1 1 331.485 3.021 10 70 EGIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)Cc1cccs1 ZINC000159899483 455413391 /nfs/dbraw/zinc/41/33/91/455413391.db2.gz DDOWLZVHOIOJDP-UHFFFAOYSA-N 1 1 337.514 3.116 10 70 EGIEMO Cn1nccc1C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000160517410 455468213 /nfs/dbraw/zinc/46/82/13/455468213.db2.gz DKDFTTUDBUFKKU-UHFFFAOYSA-N 1 1 339.468 3.318 10 70 EGIEMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000160892258 455509151 /nfs/dbraw/zinc/50/91/51/455509151.db2.gz XWZXDBQRRHGZSR-QGZVFWFLSA-N 1 1 327.465 3.046 10 70 EGIEMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000160892258 455509157 /nfs/dbraw/zinc/50/91/57/455509157.db2.gz XWZXDBQRRHGZSR-QGZVFWFLSA-N 1 1 327.465 3.046 10 70 EGIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000161405763 455566808 /nfs/dbraw/zinc/56/68/08/455566808.db2.gz PWFKNGHOTQWCPO-BEFAXECRSA-N 1 1 339.439 3.332 10 70 EGIEMO Cc1cc2c(ncnc2N2CC[NH+]([C@H](C)c3ccccn3)CC2)s1 ZINC000160079984 534074447 /nfs/dbraw/zinc/07/44/47/534074447.db2.gz SXHPKRLPRRUIKZ-CQSZACIVSA-N 1 1 339.468 3.278 10 70 EGIEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000160987273 455521586 /nfs/dbraw/zinc/52/15/86/455521586.db2.gz ATNLXRPHOPESMF-WFASDCNBSA-N 1 1 339.277 3.153 10 70 EGIEMO CC[N@H+](CCc1nccs1)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000159380820 455373475 /nfs/dbraw/zinc/37/34/75/455373475.db2.gz XJVZEKAVVWSONH-UHFFFAOYSA-N 1 1 347.484 3.100 10 70 EGIEMO CC[N@@H+](CCc1nccs1)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000159380820 455373476 /nfs/dbraw/zinc/37/34/76/455373476.db2.gz XJVZEKAVVWSONH-UHFFFAOYSA-N 1 1 347.484 3.100 10 70 EGIEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000160567571 455475079 /nfs/dbraw/zinc/47/50/79/455475079.db2.gz ASULRNWOCNFQNG-KRWDZBQOSA-N 1 1 332.492 3.221 10 70 EGIEMO Cc1cnn([C@@H]2CCC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)c1 ZINC000159467394 455378523 /nfs/dbraw/zinc/37/85/23/455378523.db2.gz FLNGQMRFEHQBRE-LJQANCHMSA-N 1 1 330.451 3.100 10 70 EGIEMO Cc1cnn([C@@H]2CCCN(CC[N@@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000159467394 455378529 /nfs/dbraw/zinc/37/85/29/455378529.db2.gz FLNGQMRFEHQBRE-LJQANCHMSA-N 1 1 330.451 3.100 10 70 EGIEMO Cc1cnn([C@@H]2CCCN(CC[N@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000159467394 455378531 /nfs/dbraw/zinc/37/85/31/455378531.db2.gz FLNGQMRFEHQBRE-LJQANCHMSA-N 1 1 330.451 3.100 10 70 EGIEMO Cc1ccc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)cc1F ZINC000159863240 455409955 /nfs/dbraw/zinc/40/99/55/455409955.db2.gz XTZVZIYNZWGFDB-UHFFFAOYSA-N 1 1 335.448 3.482 10 70 EGIEMO Cc1ccc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1F ZINC000159863240 455409956 /nfs/dbraw/zinc/40/99/56/455409956.db2.gz XTZVZIYNZWGFDB-UHFFFAOYSA-N 1 1 335.448 3.482 10 70 EGIEMO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000159999112 455421470 /nfs/dbraw/zinc/42/14/70/455421470.db2.gz MZORRITWVWFMMA-YLJYHZDGSA-N 1 1 326.440 3.275 10 70 EGIEMO COc1ccc(SCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160411684 455455927 /nfs/dbraw/zinc/45/59/27/455455927.db2.gz DOCUAXSTGHRAGV-OAHLLOKOSA-N 1 1 336.501 3.024 10 70 EGIEMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160537011 455471677 /nfs/dbraw/zinc/47/16/77/455471677.db2.gz CQCGLNRVDQUEAS-HNNXBMFYSA-N 1 1 326.444 3.233 10 70 EGIEMO