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 206245923 /nfs/dbraw/zinc/24/59/23/206245923.db2.gz MFNNNRHISGBEPI-MRXNPFEDSA-N 1 0 334.485 3.064 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000159715160 206259033 /nfs/dbraw/zinc/25/90/33/206259033.db2.gz GSJYJUIEVNJJMN-DLBZAZTESA-N 1 0 344.405 3.446 10 70 EGIERO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1NC(C)=O ZINC000160061688 206277185 /nfs/dbraw/zinc/27/71/85/206277185.db2.gz GHMWFDLCDPCHLT-KZULUSFZSA-N 1 0 348.468 3.273 10 70 EGIERO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000160135618 206281293 /nfs/dbraw/zinc/28/12/93/206281293.db2.gz PHZTZTDNKNMDQM-HNNXBMFYSA-N 1 0 342.530 3.004 10 70 EGIERO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCO2 ZINC000160562508 206303796 /nfs/dbraw/zinc/30/37/96/206303796.db2.gz JYAFRRHMXGXCOD-UHFFFAOYSA-N 1 0 338.407 3.288 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000161201313 206335070 /nfs/dbraw/zinc/33/50/70/206335070.db2.gz PFUJHWDXUZJWCI-GOEBONIOSA-N 1 0 342.487 3.302 10 70 EGIERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000161263478 287156760 /nfs/dbraw/zinc/15/67/60/287156760.db2.gz LHJHBOLMYBMHTD-INIZCTEOSA-N 1 0 344.503 3.439 10 70 EGIERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C)c2O)CC1 ZINC000218508258 266194391 /nfs/dbraw/zinc/19/43/91/266194391.db2.gz WPCCJESQXVFCLP-UHFFFAOYSA-N 1 0 339.439 3.095 10 70 EGIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCCC(C)C ZINC000159620232 455390413 /nfs/dbraw/zinc/39/04/13/455390413.db2.gz SOJZDFOTHBAUNH-RDJZCZTQSA-N 1 0 348.487 3.206 10 70 EGIERO Cc1ccc(C(=O)CC[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000159433191 455376488 /nfs/dbraw/zinc/37/64/88/455376488.db2.gz OCOULOWMTDSNTP-UHFFFAOYSA-N 1 0 325.456 3.256 10 70 EGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607203 455388328 /nfs/dbraw/zinc/38/83/28/455388328.db2.gz LOZJTDWVVTZSMN-WBVHZDCISA-N 1 0 348.450 3.111 10 70 EGIERO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OCC(C)C ZINC000159696036 455396264 /nfs/dbraw/zinc/39/62/64/455396264.db2.gz CJPOISWJCMYCGT-RDJZCZTQSA-N 1 0 348.487 3.206 10 70 EGIERO CC[C@H]1CN(Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000159914926 455415463 /nfs/dbraw/zinc/41/54/63/455415463.db2.gz HIBXGHDDXKXTGB-WBVHZDCISA-N 1 0 345.512 3.087 10 70 EGIERO C[C@H](Cc1ccccc1F)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160089510 455427455 /nfs/dbraw/zinc/42/74/55/455427455.db2.gz UYLGPGMGUZXPQL-MRXNPFEDSA-N 1 0 332.463 3.339 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000160246784 455442096 /nfs/dbraw/zinc/44/20/96/455442096.db2.gz BTNHQQYGVHYMOF-SJLPKXTDSA-N 1 0 347.503 3.085 10 70 EGIERO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160304409 455446047 /nfs/dbraw/zinc/44/60/47/455446047.db2.gz MVVQNLYNWFMPNC-ZWKOTPCHSA-N 1 0 336.520 3.020 10 70 EGIERO CCn1cc(C2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)cn1 ZINC000160457693 455460994 /nfs/dbraw/zinc/46/09/94/455460994.db2.gz ALSWURDNPCAZEK-UHFFFAOYSA-N 1 0 327.428 3.069 10 70 EGIERO COc1ccc([C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)n3C)C2)cc1 ZINC000160896297 455510894 /nfs/dbraw/zinc/51/08/94/455510894.db2.gz KXEQIDDTCIQVFY-SFHVURJKSA-N 1 0 348.450 3.480 10 70 EGIERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161301938 455557553 /nfs/dbraw/zinc/55/75/53/455557553.db2.gz ZDWTUNVCJGHFGY-CQSZACIVSA-N 1 0 328.460 3.123 10 70 EGIERO CCCCn1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000159768296 546941413 /nfs/dbraw/zinc/94/14/13/546941413.db2.gz PJZXTWIDFCTCLI-SJORKVTESA-N 1 0 347.507 3.471 10 70 EGIERO COc1ccc(OC)c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000216741118 574770489 /nfs/dbraw/zinc/77/04/89/574770489.db2.gz XWAJGYSQSPQMGH-LJQANCHMSA-N 1 0 326.440 3.193 10 70 EGIERO c1ccc(-c2noc(CCC[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000159627965 206255922 /nfs/dbraw/zinc/25/59/22/206255922.db2.gz KFHCVEKQBHHIFS-IRXDYDNUSA-N 1 0 327.428 3.313 10 70 EGIERO CC1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000161130368 206329699 /nfs/dbraw/zinc/32/96/99/206329699.db2.gz VEZPLTOQWXEBGX-AYHJJNSGSA-N 1 0 327.472 3.424 10 70 EGIERO C[C@H](NC(=O)NCCCCCCC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000160061167 140952636 /nfs/dbraw/zinc/95/26/36/140952636.db2.gz MLTYVVQVDCSHBJ-FUHWJXTLSA-N 1 0 347.503 3.362 10 70 EGIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccc(Cl)cc31)CC2 ZINC000160320627 264872498 /nfs/dbraw/zinc/87/24/98/264872498.db2.gz VQCZHMKTSQCHHN-DZGCQCFKSA-N 1 0 332.835 3.058 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccccc1-n1cccn1 ZINC000160811089 278362123 /nfs/dbraw/zinc/36/21/23/278362123.db2.gz MPQJWRBWJVAQHR-OLZOCXBDSA-N 1 0 341.440 3.007 10 70 EGIERO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000159403953 307873245 /nfs/dbraw/zinc/87/32/45/307873245.db2.gz AHLLYLKCXIGOEB-DNVCBOLYSA-N 1 0 336.476 3.189 10 70 EGIERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000159420895 307873628 /nfs/dbraw/zinc/87/36/28/307873628.db2.gz JVWYLOWRWMUSME-BEFAXECRSA-N 1 0 336.476 3.189 10 70 EGIERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000159925651 307882049 /nfs/dbraw/zinc/88/20/49/307882049.db2.gz GPQPRCLVBRPBOC-CVEARBPZSA-N 1 0 349.438 3.254 10 70 EGIERO CCCCn1ncc(NC(=O)NCCC2CC[NH+](CC)CC2)c1C ZINC000160095752 307884646 /nfs/dbraw/zinc/88/46/46/307884646.db2.gz ZMYWMNQTAFSSIB-UHFFFAOYSA-N 1 0 335.496 3.235 10 70 EGIERO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)[nH]c2sc3c(c21)CCC3 ZINC000159649511 455392425 /nfs/dbraw/zinc/39/24/25/455392425.db2.gz YWFHEGDTZLKFGH-AAEUAGOBSA-N 1 0 329.469 3.238 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)Cc1ccc(-n2ccnc2)nc1 ZINC000159799275 455404737 /nfs/dbraw/zinc/40/47/37/455404737.db2.gz DEYDPRJODCYUGB-UHFFFAOYSA-N 1 0 327.457 3.177 10 70 EGIERO CCc1nccn1[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159463765 455378242 /nfs/dbraw/zinc/37/82/42/455378242.db2.gz RIODCYAXOSGGTB-LJQANCHMSA-N 1 0 344.478 3.354 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000160252950 455441983 /nfs/dbraw/zinc/44/19/83/455441983.db2.gz LZJGDSSBQSBYDB-UHFFFAOYSA-N 1 0 341.459 3.319 10 70 EGIERO COc1ccccc1[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160470437 455463402 /nfs/dbraw/zinc/46/34/02/455463402.db2.gz YAIJWPSVKHNJOJ-DLBZAZTESA-N 1 0 332.488 3.425 10 70 EGIERO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919897 455513447 /nfs/dbraw/zinc/51/34/47/455513447.db2.gz RNXYNRIIDBABAO-CYBMUJFWSA-N 1 0 338.249 3.061 10 70 EGIERO NC(=O)N1CCC([NH2+]CC2(c3ccccc3)CCCCCC2)CC1 ZINC000161108178 455535041 /nfs/dbraw/zinc/53/50/41/455535041.db2.gz ZZGIXUSQKTXPES-UHFFFAOYSA-N 1 0 329.488 3.411 10 70 EGIERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)C1CCOCC1 ZINC000161139640 455539208 /nfs/dbraw/zinc/53/92/08/455539208.db2.gz WFJPAESWYMMDPU-GDBMZVCRSA-N 1 0 338.442 3.334 10 70 EGIERO O=C(CC1CCCC1)NC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161353827 455561989 /nfs/dbraw/zinc/56/19/89/455561989.db2.gz LSCPFKHJSQWKPI-UHFFFAOYSA-N 1 0 335.536 3.023 10 70 EGIERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2ccccc12 ZINC000161401608 455566617 /nfs/dbraw/zinc/56/66/17/455566617.db2.gz GRYGLDMWHXEFRI-KSSFIOAISA-N 1 0 326.440 3.307 10 70 EGIERO O=C(NC1CCN(CCC[NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000161424664 455569356 /nfs/dbraw/zinc/56/93/56/455569356.db2.gz AUWYOKSIOQCONE-UHFFFAOYSA-N 1 0 335.536 3.023 10 70 EGIERO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000159633332 206256255 /nfs/dbraw/zinc/25/62/55/206256255.db2.gz FMHAGBDHNPVMKF-ZRGWGRIASA-N 1 0 327.472 3.409 10 70 EGIERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000160123667 206280623 /nfs/dbraw/zinc/28/06/23/206280623.db2.gz KUWQAHQSEIGCTR-CQSZACIVSA-N 1 0 328.378 3.253 10 70 EGIERO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000161189250 206334809 /nfs/dbraw/zinc/33/48/09/206334809.db2.gz OJPORPINBAJMJM-UHFFFAOYSA-N 1 0 330.472 3.181 10 70 EGIERO CC(C)CCn1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000159648502 277368566 /nfs/dbraw/zinc/36/85/66/277368566.db2.gz ZGLNZYNJURZKFL-KRWDZBQOSA-N 1 0 343.475 3.354 10 70 EGIERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cscn1 ZINC000218260580 290048581 /nfs/dbraw/zinc/04/85/81/290048581.db2.gz LVCMPSGQKKJSHK-XQQFMLRXSA-N 1 0 325.478 3.487 10 70 EGIERO CCC(CC)(CNC(=O)C[C@H](O)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000160049185 455423995 /nfs/dbraw/zinc/42/39/95/455423995.db2.gz QXGLCPQHJDMWAR-AEFFLSMTSA-N 1 0 334.504 3.419 10 70 EGIERO COc1ccc2c(c1)CN(Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000160847694 455504378 /nfs/dbraw/zinc/50/43/78/455504378.db2.gz DCVMQCCZQZPXRZ-UHFFFAOYSA-N 1 0 334.423 3.049 10 70 EGIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1Br ZINC000159498345 455380499 /nfs/dbraw/zinc/38/04/99/455380499.db2.gz MHVZJYPUVPZBMR-NSHDSACASA-N 1 0 343.240 3.251 10 70 EGIERO C[C@H](COc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000159641179 455391762 /nfs/dbraw/zinc/39/17/62/455391762.db2.gz XCVHPJOHZIUNSS-DNVCBOLYSA-N 1 0 344.430 3.260 10 70 EGIERO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000159893018 455413465 /nfs/dbraw/zinc/41/34/65/455413465.db2.gz QAMINOHNHVRHKF-WFASDCNBSA-N 1 0 339.842 3.072 10 70 EGIERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159951145 455418543 /nfs/dbraw/zinc/41/85/43/455418543.db2.gz HXRGAWHLRJHSEX-CVEARBPZSA-N 1 0 349.438 3.254 10 70 EGIERO CC[NH+]1CCC(CCNC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159991037 455421325 /nfs/dbraw/zinc/42/13/25/455421325.db2.gz MAVBYDSRDNPMES-UHFFFAOYSA-N 1 0 335.496 3.173 10 70 EGIERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]1COc2ccccc21 ZINC000160372396 455451772 /nfs/dbraw/zinc/45/17/72/455451772.db2.gz IYWBBZLGULDUAH-YJBOKZPZSA-N 1 0 345.487 3.115 10 70 EGIERO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000160428276 455458036 /nfs/dbraw/zinc/45/80/36/455458036.db2.gz KJQGEXIMQBZAKE-KRWDZBQOSA-N 1 0 344.499 3.351 10 70 EGIERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)nnn1-c1cccc(Cl)c1 ZINC000160451160 455460307 /nfs/dbraw/zinc/46/03/07/455460307.db2.gz KOWIOOWFRMGGDB-JDFRZJQESA-N 1 0 348.878 3.431 10 70 EGIERO CC[C@@H]([NH2+]CCOCCOc1ccccc1)c1c(C)nn(C)c1C ZINC000160753164 455495071 /nfs/dbraw/zinc/49/50/71/455495071.db2.gz UZVBJFMEVXNOEM-GOSISDBHSA-N 1 0 331.460 3.173 10 70 EGIERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)no1 ZINC000161048008 455527213 /nfs/dbraw/zinc/52/72/13/455527213.db2.gz AEVJVWKQAMNKIU-MRXNPFEDSA-N 1 0 337.427 3.018 10 70 EGIERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152049 455541203 /nfs/dbraw/zinc/54/12/03/455541203.db2.gz RKIFXFKVTMINHF-DNVCBOLYSA-N 1 0 329.419 3.138 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000161427994 455569402 /nfs/dbraw/zinc/56/94/02/455569402.db2.gz HVINJIAAXCCZRW-CQSZACIVSA-N 1 0 349.276 3.440 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000161426311 455569443 /nfs/dbraw/zinc/56/94/43/455569443.db2.gz HQWVPEGFPCFOLP-KRWDZBQOSA-N 1 0 328.460 3.173 10 70 EGIERO Fc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000217827579 456033932 /nfs/dbraw/zinc/03/39/32/456033932.db2.gz ROQIJIQZTGGXLN-CABCVRRESA-N 1 0 327.241 3.305 10 70 EGIERO Cc1cccc([C@H]2CCCN2C[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000159792551 546941719 /nfs/dbraw/zinc/94/17/19/546941719.db2.gz NVUOWQLMTOGVRX-TZIWHRDSSA-N 1 0 339.483 3.020 10 70 EGIERO Cc1cc(-c2nnc(CN3CC[NH+](C4CCCC4)CC3)o2)c(C)o1 ZINC000161373676 546955772 /nfs/dbraw/zinc/95/57/72/546955772.db2.gz MBEZWLYHWOAPTL-UHFFFAOYSA-N 1 0 330.432 3.007 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000159715294 206258799 /nfs/dbraw/zinc/25/87/99/206258799.db2.gz GSJYJUIEVNJJMN-IRXDYDNUSA-N 1 0 344.405 3.446 10 70 EGIERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159534865 206251591 /nfs/dbraw/zinc/25/15/91/206251591.db2.gz VNEOACPXSWIJQB-CYBMUJFWSA-N 1 0 344.484 3.177 10 70 EGIERO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160136026 206280651 /nfs/dbraw/zinc/28/06/51/206280651.db2.gz CLOWWWNUOWJKHJ-WFASDCNBSA-N 1 0 328.378 3.094 10 70 EGIERO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000160947996 206320246 /nfs/dbraw/zinc/32/02/46/206320246.db2.gz AQBGELSIYANKNW-XHSDSOJGSA-N 1 0 332.488 3.460 10 70 EGIERO OCCn1nccc1C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000160561050 140963060 /nfs/dbraw/zinc/96/30/60/140963060.db2.gz ALODDKIUXHYSFS-UHFFFAOYSA-N 1 0 341.480 3.470 10 70 EGIERO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224397 290024182 /nfs/dbraw/zinc/02/41/82/290024182.db2.gz SZAMMEZPRODHGJ-IINYFYTJSA-N 1 0 336.233 3.357 10 70 EGIERO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(-c2cccnc2)n1 ZINC000160454175 301338526 /nfs/dbraw/zinc/33/85/26/301338526.db2.gz UUGOFOOUMBWEJV-SFHVURJKSA-N 1 0 337.471 3.302 10 70 EGIERO COc1cccc(Cl)c1CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000159973096 307883048 /nfs/dbraw/zinc/88/30/48/307883048.db2.gz UDRVTRDIQRIYHR-MRXNPFEDSA-N 1 0 340.895 3.374 10 70 EGIERO COC(=O)c1cccc(OCC[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159749201 455400204 /nfs/dbraw/zinc/40/02/04/455400204.db2.gz HRFLTLHJRJIPLC-UHFFFAOYSA-N 1 0 348.468 3.262 10 70 EGIERO COCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC000160370406 455452096 /nfs/dbraw/zinc/45/20/96/455452096.db2.gz WKAULWDIOYFIHH-QGZVFWFLSA-N 1 0 339.524 3.003 10 70 EGIERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)C1CCOCC1 ZINC000160424125 455457077 /nfs/dbraw/zinc/45/70/77/455457077.db2.gz DTKYAGDAUOOMJB-MRXNPFEDSA-N 1 0 332.488 3.207 10 70 EGIERO CCN(C/C=C/c1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159898012 455413758 /nfs/dbraw/zinc/41/37/58/455413758.db2.gz ZRPQSLOIUDTQJU-CSKARUKUSA-N 1 0 349.434 3.467 10 70 EGIERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159912783 455414115 /nfs/dbraw/zinc/41/41/15/455414115.db2.gz IAAOLVAEJFJCGC-QGZVFWFLSA-N 1 0 348.512 3.453 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[S@](=O)c1ccccc1 ZINC000160784167 455497671 /nfs/dbraw/zinc/49/76/71/455497671.db2.gz QITBPTWMQBEISX-QKFKETGDSA-N 1 0 333.501 3.405 10 70 EGIERO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161084202 455531798 /nfs/dbraw/zinc/53/17/98/455531798.db2.gz IIIPAQWCUJSUDB-KRWDZBQOSA-N 1 0 340.467 3.191 10 70 EGIERO CC[C@](C)(O)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000161461604 455571951 /nfs/dbraw/zinc/57/19/51/455571951.db2.gz KPRRZJGPBWMPPC-IBGZPJMESA-N 1 0 340.508 3.259 10 70 EGIERO C[C@@H](Cc1ccccc1F)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160089370 140952556 /nfs/dbraw/zinc/95/25/56/140952556.db2.gz UYLGPGMGUZXPQL-INIZCTEOSA-N 1 0 332.463 3.339 10 70 EGIERO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC(F)F)cc1 ZINC000159562079 276636361 /nfs/dbraw/zinc/63/63/61/276636361.db2.gz DRDLTVAYVJJNEO-HNNXBMFYSA-N 1 0 326.387 3.341 10 70 EGIERO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(C)=O ZINC000161102638 295238802 /nfs/dbraw/zinc/23/88/02/295238802.db2.gz JUIPHNCIBAIPAG-JQFCIGGWSA-N 1 0 333.476 3.177 10 70 EGIERO CCCC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000161081823 307898098 /nfs/dbraw/zinc/89/80/98/307898098.db2.gz NMGCIJFLQXDOFU-KRWDZBQOSA-N 1 0 348.487 3.379 10 70 EGIERO NC(=O)N1CCC([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000161239865 307900772 /nfs/dbraw/zinc/90/07/72/307900772.db2.gz FGELJCPVTFWYNF-LJQANCHMSA-N 1 0 337.467 3.146 10 70 EGIERO O=C(NCC1(Sc2ccccc2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159702365 455397799 /nfs/dbraw/zinc/39/77/99/455397799.db2.gz OUZZAFVHKQNCCE-XIRDDKMYSA-N 1 0 330.497 3.348 10 70 EGIERO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159746733 455400230 /nfs/dbraw/zinc/40/02/30/455400230.db2.gz FJXBQHQOVBMFKX-HNNXBMFYSA-N 1 0 325.522 3.289 10 70 EGIERO Clc1ccc(C2=NO[C@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000159754820 455400543 /nfs/dbraw/zinc/40/05/43/455400543.db2.gz PKTCPVKCFYMWAZ-SFHVURJKSA-N 1 0 347.890 3.393 10 70 EGIERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1cccc(Cl)c1 ZINC000160921828 455514161 /nfs/dbraw/zinc/51/41/61/455514161.db2.gz KDKOMXLCPXNADS-LSBZLQRGSA-N 1 0 348.874 3.072 10 70 EGIERO CC(C)CN(C(=O)NC1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000161231502 455550546 /nfs/dbraw/zinc/55/05/46/455550546.db2.gz ZUBGIPYMJGXDLT-SFHVURJKSA-N 1 0 344.503 3.221 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000161338476 455560887 /nfs/dbraw/zinc/56/08/87/455560887.db2.gz FYDNXDRCOUDZJR-CQSZACIVSA-N 1 0 349.276 3.440 10 70 EGIERO c1ccc(CN2CCCC[C@@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161380461 455564694 /nfs/dbraw/zinc/56/46/94/455564694.db2.gz YVVBOPZRDACOLO-HXUWFJFHSA-N 1 0 344.499 3.316 10 70 EGIERO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161464214 535909040 /nfs/dbraw/zinc/90/90/40/535909040.db2.gz LAFZICFHYBOCMS-MSOLQXFVSA-N 1 0 327.424 3.275 10 70 EGIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(OCc2nccn2C)cc1 ZINC000160511610 206301903 /nfs/dbraw/zinc/30/19/03/206301903.db2.gz RCGXSROEHMUURL-IEZWGBDMSA-N 1 0 343.471 3.201 10 70 EGIERO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CC[NH+]2CCCCC2)C1 ZINC000161147811 206330882 /nfs/dbraw/zinc/33/08/82/206330882.db2.gz GFFQYXFMKGBMTR-IAGOWNOFSA-N 1 0 342.405 3.299 10 70 EGIERO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196802 206333977 /nfs/dbraw/zinc/33/39/77/206333977.db2.gz FTSDLPSPAMWJFC-YOEHRIQHSA-N 1 0 333.476 3.179 10 70 EGIERO COc1cccc(Cl)c1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160789257 140964276 /nfs/dbraw/zinc/96/42/76/140964276.db2.gz JFWYXCWQJFNBHU-UHFFFAOYSA-N 1 0 338.879 3.128 10 70 EGIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160775621 275195958 /nfs/dbraw/zinc/19/59/58/275195958.db2.gz DYVYBHQQNJZBAA-GOSISDBHSA-N 1 0 329.488 3.135 10 70 EGIERO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224632 279545823 /nfs/dbraw/zinc/54/58/23/279545823.db2.gz SZAMMEZPRODHGJ-HZMBPMFUSA-N 1 0 336.233 3.357 10 70 EGIERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000161302007 307901179 /nfs/dbraw/zinc/90/11/79/307901179.db2.gz OQWUNGJPWNTFQP-ZDUSSCGKSA-N 1 0 327.819 3.475 10 70 EGIERO CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1N(C)C ZINC000159837397 455408136 /nfs/dbraw/zinc/40/81/36/455408136.db2.gz AZMNLLXGCLQEEV-GOSISDBHSA-N 1 0 325.456 3.279 10 70 EGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702199 455397822 /nfs/dbraw/zinc/39/78/22/455397822.db2.gz VFUAYBYFAGAYMN-KOLCDFICSA-N 1 0 332.778 3.027 10 70 EGIERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000160565200 455474626 /nfs/dbraw/zinc/47/46/26/455474626.db2.gz LGQZZCKOODAUAL-JDFRZJQESA-N 1 0 348.878 3.431 10 70 EGIERO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1NC(C)=O ZINC000159407959 455374810 /nfs/dbraw/zinc/37/48/10/455374810.db2.gz AFQGDAYVYORFQJ-AUUYWEPGSA-N 1 0 336.476 3.491 10 70 EGIERO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000159403686 455375520 /nfs/dbraw/zinc/37/55/20/455375520.db2.gz AHLLYLKCXIGOEB-HNAYVOBHSA-N 1 0 336.476 3.189 10 70 EGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572927 455386546 /nfs/dbraw/zinc/38/65/46/455386546.db2.gz FBLKWJLMBJCGAP-NWDGAFQWSA-N 1 0 334.366 3.311 10 70 EGIERO Cc1cccc2[nH]c(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)nc21 ZINC000160433314 455457735 /nfs/dbraw/zinc/45/77/35/455457735.db2.gz UPSPXOQXJDEBQK-UHFFFAOYSA-N 1 0 348.450 3.397 10 70 EGIERO COc1cccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160548376 455472955 /nfs/dbraw/zinc/47/29/55/455472955.db2.gz DHICODRWOMJQAU-FUHWJXTLSA-N 1 0 332.488 3.425 10 70 EGIERO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160996613 455521967 /nfs/dbraw/zinc/52/19/67/455521967.db2.gz WPQJJURXZNUTFN-FBBABVLZSA-N 1 0 344.499 3.051 10 70 EGIERO CCn1cc([C@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000161123663 455537248 /nfs/dbraw/zinc/53/72/48/455537248.db2.gz NGZIMGQAFPOARJ-HOCLYGCPSA-N 1 0 348.441 3.496 10 70 EGIERO C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)C1CCOCC1 ZINC000161139760 455539450 /nfs/dbraw/zinc/53/94/50/455539450.db2.gz WFJPAESWYMMDPU-HOCLYGCPSA-N 1 0 338.442 3.334 10 70 EGIERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000159884204 546941875 /nfs/dbraw/zinc/94/18/75/546941875.db2.gz WNVLUTSIAUUXHN-NEPJUHHUSA-N 1 0 340.514 3.201 10 70 EGIERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000160150897 206281826 /nfs/dbraw/zinc/28/18/26/206281826.db2.gz YWSPDXHVTAJCBJ-QGZVFWFLSA-N 1 0 344.499 3.438 10 70 EGIERO C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000160276330 206287376 /nfs/dbraw/zinc/28/73/76/206287376.db2.gz NQCCDYHGDOFRGL-DLTWYDFYSA-N 1 0 331.460 3.378 10 70 EGIERO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000160613044 206306518 /nfs/dbraw/zinc/30/65/18/206306518.db2.gz HRMQCFIVGLVDOK-ZETCQYMHSA-N 1 0 329.149 3.323 10 70 EGIERO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161464349 140973435 /nfs/dbraw/zinc/97/34/35/140973435.db2.gz LAFZICFHYBOCMS-QZTJIDSGSA-N 1 0 327.424 3.275 10 70 EGIERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160873005 278600713 /nfs/dbraw/zinc/60/07/13/278600713.db2.gz BDAUJXDCRDDMSO-LSDHHAIUSA-N 1 0 328.460 3.216 10 70 EGIERO CCC[C@H](C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161466711 307903027 /nfs/dbraw/zinc/90/30/27/307903027.db2.gz YGVYPFYDJXDNSF-CQSZACIVSA-N 1 0 332.366 3.274 10 70 EGIERO COc1cccc([C@H]2C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160406266 455455192 /nfs/dbraw/zinc/45/51/92/455455192.db2.gz PIXZMRAEZJIJJK-QRQLOZEOSA-N 1 0 330.472 3.035 10 70 EGIERO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000159694450 455396672 /nfs/dbraw/zinc/39/66/72/455396672.db2.gz PRHDBMLNAHFBIM-CVEARBPZSA-N 1 0 336.426 3.497 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCCc1ccccc1 ZINC000159877618 455412370 /nfs/dbraw/zinc/41/23/70/455412370.db2.gz NJQDRSFRVNWOCE-UHFFFAOYSA-N 1 0 345.512 3.145 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159878226 455412496 /nfs/dbraw/zinc/41/24/96/455412496.db2.gz YSXJRSXRHRRBCR-CVEARBPZSA-N 1 0 337.533 3.433 10 70 EGIERO COc1ccc(NC(=O)CN(CCc2nccs2)C(C)C)cc1 ZINC000159928028 455416433 /nfs/dbraw/zinc/41/64/33/455416433.db2.gz GIRDEITWUYYFPT-UHFFFAOYSA-N 1 0 333.457 3.043 10 70 EGIERO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)n1 ZINC000160108919 455429529 /nfs/dbraw/zinc/42/95/29/455429529.db2.gz SFLVCIGHHHMVSO-ICSRJNTNSA-N 1 0 326.440 3.105 10 70 EGIERO O=C(c1csc(-c2ccccc2Cl)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160254048 455441505 /nfs/dbraw/zinc/44/15/05/455441505.db2.gz NFBZPKSFOOZVRW-TXEJJXNPSA-N 1 0 347.871 3.430 10 70 EGIERO CCN(C(=O)NCCCCSC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160302284 455446537 /nfs/dbraw/zinc/44/65/37/455446537.db2.gz BKJCZRUSNAKXML-GOSISDBHSA-N 1 0 349.544 3.436 10 70 EGIERO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc(Br)c1O ZINC000160471097 455463808 /nfs/dbraw/zinc/46/38/08/455463808.db2.gz WJCIHCVKZNXNDS-NSHDSACASA-N 1 0 344.249 3.211 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[S@@](=O)c1ccccc1 ZINC000160784030 455497717 /nfs/dbraw/zinc/49/77/17/455497717.db2.gz QITBPTWMQBEISX-PSLXWICFSA-N 1 0 333.501 3.405 10 70 EGIERO CCc1ccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000161075277 546953272 /nfs/dbraw/zinc/95/32/72/546953272.db2.gz NWMKURUGMQXAPI-YLJYHZDGSA-N 1 0 341.455 3.426 10 70 EGIERO C[C@@H](CC(=O)NC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000160691839 206309095 /nfs/dbraw/zinc/30/90/95/206309095.db2.gz RUPWWPMCACSRIN-LBPRGKRZSA-N 1 0 339.277 3.153 10 70 EGIERO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000160948517 206319687 /nfs/dbraw/zinc/31/96/87/206319687.db2.gz SYPDVSKFGCHBHI-SQGPQFPESA-N 1 0 330.472 3.257 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161201017 206334864 /nfs/dbraw/zinc/33/48/64/206334864.db2.gz PFUJHWDXUZJWCI-ZBFHGGJFSA-N 1 0 342.487 3.302 10 70 EGIERO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1OC ZINC000161433878 206347335 /nfs/dbraw/zinc/34/73/35/206347335.db2.gz GXGFNDVTTYPVCU-NVXWUHKLSA-N 1 0 329.440 3.439 10 70 EGIERO COc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1OC ZINC000161434014 206348520 /nfs/dbraw/zinc/34/85/20/206348520.db2.gz GXGFNDVTTYPVCU-DOTOQJQBSA-N 1 0 329.440 3.439 10 70 EGIERO [NH3+]C[C@H]1CCCN1C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000160297599 303422746 /nfs/dbraw/zinc/42/27/46/303422746.db2.gz WTDKRFNKIXVERJ-OAQYLSRUSA-N 1 0 336.479 3.428 10 70 EGIERO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161443220 307902670 /nfs/dbraw/zinc/90/26/70/307902670.db2.gz RRGWQQFBVVNZQJ-RHSMWYFYSA-N 1 0 338.451 3.343 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000159715562 455397553 /nfs/dbraw/zinc/39/75/53/455397553.db2.gz HBVSTXVTVMSRTE-SJLPKXTDSA-N 1 0 344.405 3.446 10 70 EGIERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccco1)C1CCCC1 ZINC000160732919 455492945 /nfs/dbraw/zinc/49/29/45/455492945.db2.gz UYZOKESQJZZHGX-INIZCTEOSA-N 1 0 331.460 3.218 10 70 EGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572815 455386302 /nfs/dbraw/zinc/38/63/02/455386302.db2.gz FBLKWJLMBJCGAP-VXGBXAGGSA-N 1 0 334.366 3.311 10 70 EGIERO C[C@H](NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000160060901 455425051 /nfs/dbraw/zinc/42/50/51/455425051.db2.gz MLTYVVQVDCSHBJ-WMZOPIPTSA-N 1 0 347.503 3.362 10 70 EGIERO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160304518 455446327 /nfs/dbraw/zinc/44/63/27/455446327.db2.gz MVVQNLYNWFMPNC-ROUUACIJSA-N 1 0 336.520 3.020 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1OC(F)F ZINC000160590229 455478359 /nfs/dbraw/zinc/47/83/59/455478359.db2.gz VGTBHHSFUYNAGM-OAHLLOKOSA-N 1 0 340.414 3.067 10 70 EGIERO COc1ccc(-c2cnc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160618239 455480803 /nfs/dbraw/zinc/48/08/03/455480803.db2.gz HMWAHPSSACLVJO-OXQOHEQNSA-N 1 0 342.439 3.477 10 70 EGIERO Cc1cnc(CC[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)s1 ZINC000161026454 455524648 /nfs/dbraw/zinc/52/46/48/455524648.db2.gz ZBTXJMVFKZRHFP-UHFFFAOYSA-N 1 0 337.533 3.211 10 70 EGIERO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000161082190 455531169 /nfs/dbraw/zinc/53/11/69/455531169.db2.gz IHZKLQGFXBEXLZ-UHFFFAOYSA-N 1 0 337.370 3.329 10 70 EGIERO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192661 455547011 /nfs/dbraw/zinc/54/70/11/455547011.db2.gz CKTXEJDAGVYBAJ-GOEBONIOSA-N 1 0 347.894 3.446 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@H](CNc2ncncc2Br)C1 ZINC000161306649 455557049 /nfs/dbraw/zinc/55/70/49/455557049.db2.gz JRPKGNQRKMARJA-GFCCVEGCSA-N 1 0 327.270 3.019 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000161400343 455567122 /nfs/dbraw/zinc/56/71/22/455567122.db2.gz BWDQBVIVAWYPKG-APWZRJJASA-N 1 0 329.488 3.135 10 70 EGIERO C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](c2ccco2)C1 ZINC000161492814 546956237 /nfs/dbraw/zinc/95/62/37/546956237.db2.gz MTVNSCFTRJHZKD-GDBMZVCRSA-N 1 0 345.447 3.043 10 70 EGIERO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000159803797 140947087 /nfs/dbraw/zinc/94/70/87/140947087.db2.gz DWFOVJPASOEDGG-AWEZNQCLSA-N 1 0 325.391 3.085 10 70 EGIERO Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000161101827 264887276 /nfs/dbraw/zinc/88/72/76/264887276.db2.gz UITUQRZOXRPUPK-ZDUSSCGKSA-N 1 0 341.293 3.464 10 70 EGIERO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161243433 279002352 /nfs/dbraw/zinc/00/23/52/279002352.db2.gz UMUYJVYICGZUJG-DAYRTQLQSA-N 1 0 330.447 3.451 10 70 EGIERO CCn1cc(C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000160469776 307890347 /nfs/dbraw/zinc/89/03/47/307890347.db2.gz KQOUNGAJIZZHOY-UHFFFAOYSA-N 1 0 344.434 3.250 10 70 EGIERO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000161054990 307897741 /nfs/dbraw/zinc/89/77/41/307897741.db2.gz GTPBDONQCSILFM-HNAYVOBHSA-N 1 0 342.439 3.126 10 70 EGIERO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1NC(C)=O ZINC000159407818 455375185 /nfs/dbraw/zinc/37/51/85/455375185.db2.gz AFQGDAYVYORFQJ-KUHUBIRLSA-N 1 0 336.476 3.491 10 70 EGIERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159631448 455391641 /nfs/dbraw/zinc/39/16/41/455391641.db2.gz AYVBHKOXZCLYEG-KXBFYZLASA-N 1 0 341.499 3.484 10 70 EGIERO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)oc1CC ZINC000160112233 455429678 /nfs/dbraw/zinc/42/96/78/455429678.db2.gz SZWDAWUTIYMTAT-UHFFFAOYSA-N 1 0 329.444 3.003 10 70 EGIERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CCCCC1 ZINC000160799004 455500231 /nfs/dbraw/zinc/50/02/31/455500231.db2.gz FPDKATXGLAQHSF-HOTGVXAUSA-N 1 0 340.471 3.360 10 70 EGIERO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)n3C)C2)cc1 ZINC000160896436 455510792 /nfs/dbraw/zinc/51/07/92/455510792.db2.gz KXEQIDDTCIQVFY-GOSISDBHSA-N 1 0 348.450 3.480 10 70 EGIERO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000161123208 455537546 /nfs/dbraw/zinc/53/75/46/455537546.db2.gz FGUZNWWKMCWALX-SQGPQFPESA-N 1 0 330.472 3.257 10 70 EGIERO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC000161211507 455548292 /nfs/dbraw/zinc/54/82/92/455548292.db2.gz XQOQAMMZVARNAI-UNEWFSDZSA-N 1 0 336.426 3.307 10 70 EGIERO CCC[C@@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)[NH+](C)C ZINC000161223596 455549646 /nfs/dbraw/zinc/54/96/46/455549646.db2.gz MMUAZBSKSBIONT-INIZCTEOSA-N 1 0 329.444 3.264 10 70 EGIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1Br)[NH+](C)C ZINC000161242758 455552356 /nfs/dbraw/zinc/55/23/56/455552356.db2.gz NGWLGWYXRWOTPF-FZMZJTMJSA-N 1 0 327.266 3.357 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000161271126 455554495 /nfs/dbraw/zinc/55/44/95/455554495.db2.gz VCSFDQJSDZDJMA-HNNXBMFYSA-N 1 0 339.418 3.365 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2NC(=O)C(C)(C)C)[C@@H](C)C1 ZINC000161303498 455557210 /nfs/dbraw/zinc/55/72/10/455557210.db2.gz XXBGTKKOWYPIFH-YOEHRIQHSA-N 1 0 345.487 3.130 10 70 EGIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1c(C)cccc1C ZINC000159385304 528607373 /nfs/dbraw/zinc/60/73/73/528607373.db2.gz QSTRERFPTHBECG-INIZCTEOSA-N 1 0 334.485 3.064 10 70 EGIERO O=C1CCCN1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000159481345 284788096 /nfs/dbraw/zinc/78/80/96/284788096.db2.gz PIEVHPVOYKPKSM-OAHLLOKOSA-N 1 0 337.261 3.039 10 70 EGIERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000159925392 307882044 /nfs/dbraw/zinc/88/20/44/307882044.db2.gz GPQPRCLVBRPBOC-HOTGVXAUSA-N 1 0 349.438 3.254 10 70 EGIERO CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000160772478 455497275 /nfs/dbraw/zinc/49/72/75/455497275.db2.gz VTSLXZPGESYCCL-KGLIPLIRSA-N 1 0 343.475 3.135 10 70 EGIERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N1CCC(C)CC1 ZINC000160818062 455501627 /nfs/dbraw/zinc/50/16/27/455501627.db2.gz CIHKJHPCVJNZMT-IAGOWNOFSA-N 1 0 340.471 3.170 10 70 EGIERO COc1cccc(CCC[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000159482119 455379680 /nfs/dbraw/zinc/37/96/80/455379680.db2.gz SEDPLBZIAVRFTI-FQEVSTJZSA-N 1 0 338.451 3.191 10 70 EGIERO Cc1ccc(OC[C@@H](O)C[N@@H+](CCc2nccs2)C(C)C)c(C)c1 ZINC000159892643 455413681 /nfs/dbraw/zinc/41/36/81/455413681.db2.gz XFMKILPAXDIADC-KRWDZBQOSA-N 1 0 348.512 3.453 10 70 EGIERO C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000160061299 455424874 /nfs/dbraw/zinc/42/48/74/455424874.db2.gz MLTYVVQVDCSHBJ-SJLPKXTDSA-N 1 0 347.503 3.362 10 70 EGIERO COc1ccc2c(CC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)coc2c1 ZINC000160454479 455461533 /nfs/dbraw/zinc/46/15/33/455461533.db2.gz BFXXVVNZRNRQNM-MRXNPFEDSA-N 1 0 344.455 3.221 10 70 EGIERO O[C@@]12CCCC[C@@H]1CN(Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160720992 455492087 /nfs/dbraw/zinc/49/20/87/455492087.db2.gz KAFNLGTWJVCWPC-RDTXWAMCSA-N 1 0 346.862 3.048 10 70 EGIERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cncs1 ZINC000161058440 455528548 /nfs/dbraw/zinc/52/85/48/455528548.db2.gz CKGFAXRGNHUUBF-AWEZNQCLSA-N 1 0 325.437 3.204 10 70 EGIERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000161369941 455563603 /nfs/dbraw/zinc/56/36/03/455563603.db2.gz WWTGTYYHYYIGOS-SNVBAGLBSA-N 1 0 346.656 3.270 10 70 EGIERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[NH+](C)C ZINC000161508955 455576169 /nfs/dbraw/zinc/57/61/69/455576169.db2.gz RBLBDJHWIUOTTP-KRWDZBQOSA-N 1 0 340.427 3.003 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccccc1-n1cccn1 ZINC000160818196 287045714 /nfs/dbraw/zinc/04/57/14/287045714.db2.gz CIHKJHPCVJNZMT-SJORKVTESA-N 1 0 340.471 3.170 10 70 EGIERO COc1cc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc(OC)c1OC ZINC000161005206 225526012 /nfs/dbraw/zinc/52/60/12/225526012.db2.gz GQOKYJJALJTAHO-WMLDXEAASA-N 1 0 345.439 3.487 10 70 EGIERO CCCOc1cccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000160840207 275196185 /nfs/dbraw/zinc/19/61/85/275196185.db2.gz SURKWBUJYUQMOP-FQEVSTJZSA-N 1 0 340.467 3.437 10 70 EGIERO CC[NH+](CC)CCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000159587473 307876333 /nfs/dbraw/zinc/87/63/33/307876333.db2.gz LYHZEGBJHJIQMA-UHFFFAOYSA-N 1 0 338.249 3.002 10 70 EGIERO Cc1cc(F)ccc1-c1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159593114 455387324 /nfs/dbraw/zinc/38/73/24/455387324.db2.gz RSFBKQCDFNRNNC-KBPBESRZSA-N 1 0 330.403 3.480 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCc2sccc2C1 ZINC000159792906 455405015 /nfs/dbraw/zinc/40/50/15/455405015.db2.gz MZBPLPVUIZAGHR-UHFFFAOYSA-N 1 0 349.525 3.042 10 70 EGIERO CCC[C@@H](C(=O)Nc1nc(CN2CCC(C)CC2)cs1)[NH+](C)C ZINC000159496669 455380064 /nfs/dbraw/zinc/38/00/64/455380064.db2.gz GZBIVFFJMAYOEL-HNNXBMFYSA-N 1 0 338.521 3.044 10 70 EGIERO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC(F)F ZINC000159537047 455383198 /nfs/dbraw/zinc/38/31/98/455383198.db2.gz NBZVFJRQVCVOBU-RCBQFDQVSA-N 1 0 339.382 3.344 10 70 EGIERO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000159844109 455408812 /nfs/dbraw/zinc/40/88/12/455408812.db2.gz WYBADPISMKWRTH-UHFFFAOYSA-N 1 0 340.471 3.020 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCC1=CCCCC1 ZINC000159845720 455409381 /nfs/dbraw/zinc/40/93/81/455409381.db2.gz NXKOXSLTLGAWLU-UHFFFAOYSA-N 1 0 335.517 3.403 10 70 EGIERO CCOCCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160155018 455432467 /nfs/dbraw/zinc/43/24/67/455432467.db2.gz DSLUDSHMQDPWOQ-OAHLLOKOSA-N 1 0 333.407 3.482 10 70 EGIERO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000160890294 455509083 /nfs/dbraw/zinc/50/90/83/455509083.db2.gz KALLMTKDESBMFN-QGZVFWFLSA-N 1 0 338.455 3.374 10 70 EGIERO CC(C)[C@H](O)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000161001346 455522447 /nfs/dbraw/zinc/52/24/47/455522447.db2.gz PJYOKXVDFHJYSQ-QGZVFWFLSA-N 1 0 329.444 3.282 10 70 EGIERO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000161264868 455553881 /nfs/dbraw/zinc/55/38/81/455553881.db2.gz FCJNOYWQLABQGP-RTBURBONSA-N 1 0 338.451 3.496 10 70 EGIERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000159884324 546941600 /nfs/dbraw/zinc/94/16/00/546941600.db2.gz WNVLUTSIAUUXHN-RYUDHWBXSA-N 1 0 340.514 3.201 10 70 EGIERO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)o1 ZINC000159816865 140946669 /nfs/dbraw/zinc/94/66/69/140946669.db2.gz CUHVAUNFPQIELE-MWUSVVJHSA-N 1 0 328.456 3.407 10 70 EGIERO C(CN1CCCC[C@H]1c1nnc2n1CCCC2)C[NH+]1CCCCC1 ZINC000160796768 275391134 /nfs/dbraw/zinc/39/11/34/275391134.db2.gz YGPUVPDTWWVJHV-KRWDZBQOSA-N 1 0 331.508 3.017 10 70 EGIERO C[C@@H](COc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000159640778 307876947 /nfs/dbraw/zinc/87/69/47/307876947.db2.gz XCVHPJOHZIUNSS-KXBFYZLASA-N 1 0 344.430 3.260 10 70 EGIERO C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000161409896 307902344 /nfs/dbraw/zinc/90/23/44/307902344.db2.gz WQMGLYIZNQJFIF-KRWDZBQOSA-N 1 0 336.520 3.164 10 70 EGIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000159386889 455373501 /nfs/dbraw/zinc/37/35/01/455373501.db2.gz RKLFIRKXHLNICU-QGZVFWFLSA-N 1 0 348.512 3.373 10 70 EGIERO Cc1ccc(-c2ncc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)s2)cc1 ZINC000159703172 455397507 /nfs/dbraw/zinc/39/75/07/455397507.db2.gz DZSAQOVUJLCKBF-DZGCQCFKSA-N 1 0 329.469 3.204 10 70 EGIERO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000159925256 455415591 /nfs/dbraw/zinc/41/55/91/455415591.db2.gz GPQPRCLVBRPBOC-JKSUJKDBSA-N 1 0 349.438 3.254 10 70 EGIERO COc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160515859 455468840 /nfs/dbraw/zinc/46/88/40/455468840.db2.gz XXVQPUDCVPRJTK-FUHWJXTLSA-N 1 0 332.488 3.425 10 70 EGIERO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000159536043 455383613 /nfs/dbraw/zinc/38/36/13/455383613.db2.gz NIIMZDMFDJKZJI-CYBMUJFWSA-N 1 0 342.405 3.437 10 70 EGIERO Cc1ccc(OC[C@H](O)C[N@@H+](CCc2nccs2)C(C)C)c(C)c1 ZINC000159892483 455413278 /nfs/dbraw/zinc/41/32/78/455413278.db2.gz XFMKILPAXDIADC-QGZVFWFLSA-N 1 0 348.512 3.453 10 70 EGIERO CC(C)[N@H+](CCC(=O)N(C)c1ccccc1)CCc1nccs1 ZINC000159957622 455418138 /nfs/dbraw/zinc/41/81/38/455418138.db2.gz BDKJOTWSUVTPKW-UHFFFAOYSA-N 1 0 331.485 3.449 10 70 EGIERO Cc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160445477 455460421 /nfs/dbraw/zinc/46/04/21/455460421.db2.gz SDGJDFVOMYDWLM-OAHLLOKOSA-N 1 0 336.501 3.256 10 70 EGIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160478730 455464411 /nfs/dbraw/zinc/46/44/11/455464411.db2.gz DYGCQAYRUTWGLK-YEWWUXTCSA-N 1 0 331.460 3.172 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160602272 455479328 /nfs/dbraw/zinc/47/93/28/455479328.db2.gz RHCDGWMVFZVBHI-MRXNPFEDSA-N 1 0 331.435 3.086 10 70 EGIERO COc1cc(F)c(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000160966076 455518427 /nfs/dbraw/zinc/51/84/27/455518427.db2.gz XNZHOVIWJANJHP-UHFFFAOYSA-N 1 0 341.402 3.215 10 70 EGIERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](CCO)c1ccccc1 ZINC000161005465 455523346 /nfs/dbraw/zinc/52/33/46/455523346.db2.gz GNEFSUHQYQURBD-MAUKXSAKSA-N 1 0 327.424 3.450 10 70 EGIERO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000161199653 455548047 /nfs/dbraw/zinc/54/80/47/455548047.db2.gz IHNRCMYWJQVRPN-ZBFHGGJFSA-N 1 0 336.426 3.447 10 70 EGIERO CC(C)[NH2+]CCC(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000161304523 455557234 /nfs/dbraw/zinc/55/72/34/455557234.db2.gz QZAYSMVAGWIUQL-HXUWFJFHSA-N 1 0 340.467 3.449 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncncc2Br)C1 ZINC000161306773 455557612 /nfs/dbraw/zinc/55/76/12/455557612.db2.gz JRPKGNQRKMARJA-LBPRGKRZSA-N 1 0 327.270 3.019 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000161332493 455560123 /nfs/dbraw/zinc/56/01/23/455560123.db2.gz VJLWZHDWVQDPCJ-AWEZNQCLSA-N 1 0 349.276 3.440 10 70 EGIERO Cc1cc2occ(CC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2cc1C ZINC000161401170 455567080 /nfs/dbraw/zinc/56/70/80/455567080.db2.gz HWCAFUSNZGTFDV-SJPCQFCGSA-N 1 0 326.440 3.334 10 70 EGIERO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161463977 455572819 /nfs/dbraw/zinc/57/28/19/455572819.db2.gz LAFZICFHYBOCMS-ROUUACIJSA-N 1 0 327.424 3.275 10 70 EGIERO CC[N@H+](CCc1nc(-c2ccccc2)no1)CCc1nccs1 ZINC000159380695 528600424 /nfs/dbraw/zinc/60/04/24/528600424.db2.gz LGKKRSFBAICULI-UHFFFAOYSA-N 1 0 328.441 3.300 10 70 EGIERO COc1cccc(CCC[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000160092579 225336024 /nfs/dbraw/zinc/33/60/24/225336024.db2.gz FXJZXTIOMFLBRC-KRWDZBQOSA-N 1 0 329.444 3.274 10 70 EGIERO CC(C)N(CCc1nccs1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000159669766 307877551 /nfs/dbraw/zinc/87/75/51/307877551.db2.gz ZWWCEMLZONYIHZ-CQSZACIVSA-N 1 0 340.537 3.082 10 70 EGIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCc1ccc(F)cc1F ZINC000159995209 307883511 /nfs/dbraw/zinc/88/35/11/307883511.db2.gz TXYLBXJYWRNWGD-SFHVURJKSA-N 1 0 346.421 3.187 10 70 EGIERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccc2C)ncn1 ZINC000159708665 455397238 /nfs/dbraw/zinc/39/72/38/455397238.db2.gz IWBYGMMVPHKGMX-HZPDHXFCSA-N 1 0 325.460 3.146 10 70 EGIERO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000159803849 455404645 /nfs/dbraw/zinc/40/46/45/455404645.db2.gz VHUVFCWZRJGQOX-YJBOKZPZSA-N 1 0 329.488 3.341 10 70 EGIERO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000160772339 455496492 /nfs/dbraw/zinc/49/64/92/455496492.db2.gz VTSLXZPGESYCCL-ZIAGYGMSSA-N 1 0 343.475 3.135 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000159715977 455398559 /nfs/dbraw/zinc/39/85/59/455398559.db2.gz HBVSTXVTVMSRTE-WMZOPIPTSA-N 1 0 344.405 3.446 10 70 EGIERO COc1cccc(CCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000160082433 455426980 /nfs/dbraw/zinc/42/69/80/455426980.db2.gz RTHKEKXKIDZGKY-GOSISDBHSA-N 1 0 325.456 3.457 10 70 EGIERO C[N@H+](CCN1CCO[C@H](c2cccs2)C1)Cc1ccc(F)cc1 ZINC000160188004 455436289 /nfs/dbraw/zinc/43/62/89/455436289.db2.gz MIOSBFAULLUFTR-KRWDZBQOSA-N 1 0 334.460 3.393 10 70 EGIERO CCn1cc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000160467283 455462318 /nfs/dbraw/zinc/46/23/18/455462318.db2.gz RFFOQAPOXRLQRO-UHFFFAOYSA-N 1 0 327.428 3.054 10 70 EGIERO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161097882 455532848 /nfs/dbraw/zinc/53/28/48/455532848.db2.gz NGGHZIOOELYDMU-HBUWYVDXSA-N 1 0 336.863 3.294 10 70 EGIERO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000161192792 455546644 /nfs/dbraw/zinc/54/66/44/455546644.db2.gz CKTXEJDAGVYBAJ-HOCLYGCPSA-N 1 0 347.894 3.446 10 70 EGIERO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000161437367 455570822 /nfs/dbraw/zinc/57/08/22/455570822.db2.gz FORLYHRQHFBCQD-YJBOKZPZSA-N 1 0 340.423 3.070 10 70 EGIERO CC(C)[NH+](CCCNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)C(C)C ZINC000159385168 546937004 /nfs/dbraw/zinc/93/70/04/546937004.db2.gz JZQYUQACBOYFBL-QGZVFWFLSA-N 1 0 349.519 3.474 10 70 EGIERO Fc1ccc(CN2CCC[C@@H]([NH2+][C@@H]3CCCOC3)C2)c(Cl)c1 ZINC000161153424 546952950 /nfs/dbraw/zinc/95/29/50/546952950.db2.gz QKXDPYZHAZWVBW-HZPDHXFCSA-N 1 0 326.843 3.212 10 70 EGIERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1Br ZINC000218297530 547240300 /nfs/dbraw/zinc/24/03/00/547240300.db2.gz BIRLOHDFOASJBK-WCFLWFBJSA-N 1 0 328.250 3.412 10 70 EGIERO CC[C@H](O)c1cc2n(n1)CCN(c1cc(C)[nH+]c3ccc(F)cc31)C2 ZINC000217039193 241232369 /nfs/dbraw/zinc/23/23/69/241232369.db2.gz KDYNTYISJDNVPI-IBGZPJMESA-N 1 0 340.402 3.342 10 70 EGIERO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000159694719 140944944 /nfs/dbraw/zinc/94/49/44/140944944.db2.gz PRHDBMLNAHFBIM-HZPDHXFCSA-N 1 0 336.426 3.497 10 70 EGIERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160839649 275196204 /nfs/dbraw/zinc/19/62/04/275196204.db2.gz KCDAAJWBSOQCAQ-JKSUJKDBSA-N 1 0 328.460 3.218 10 70 EGIERO CCCCn1ncc(NC(=O)NCC2CC[NH+](CCC)CC2)c1C ZINC000159880964 307881473 /nfs/dbraw/zinc/88/14/73/307881473.db2.gz YNRDPWBGFWLDIQ-UHFFFAOYSA-N 1 0 335.496 3.235 10 70 EGIERO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160419262 307889806 /nfs/dbraw/zinc/88/98/06/307889806.db2.gz JAISDEVCRLJEGR-HNNXBMFYSA-N 1 0 326.440 3.157 10 70 EGIERO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161443079 307902618 /nfs/dbraw/zinc/90/26/18/307902618.db2.gz RRGWQQFBVVNZQJ-WMLDXEAASA-N 1 0 338.451 3.343 10 70 EGIERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccc2C)ncn1 ZINC000159708424 455397437 /nfs/dbraw/zinc/39/74/37/455397437.db2.gz IWBYGMMVPHKGMX-CVEARBPZSA-N 1 0 325.460 3.146 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000160439581 455459025 /nfs/dbraw/zinc/45/90/25/455459025.db2.gz UICAGRMMTKQZEO-IAGOWNOFSA-N 1 0 330.472 3.179 10 70 EGIERO COc1ccc(C[C@@H](C)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000160657008 455484962 /nfs/dbraw/zinc/48/49/62/455484962.db2.gz VKLUCCIWMKNVPN-MRXNPFEDSA-N 1 0 332.488 3.255 10 70 EGIERO COc1cccc(Cl)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160792508 455498752 /nfs/dbraw/zinc/49/87/52/455498752.db2.gz NJBPHMGNZCPSOE-CQSZACIVSA-N 1 0 338.879 3.128 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160462165 455462697 /nfs/dbraw/zinc/46/26/97/455462697.db2.gz XMHACRQBMQYBBW-FVQBIDKESA-N 1 0 336.426 3.305 10 70 EGIERO CCS[C@@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000160742513 455493890 /nfs/dbraw/zinc/49/38/90/455493890.db2.gz KBPVGFWWYROJSM-SJJHQCBESA-N 1 0 341.565 3.470 10 70 EGIERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)no1 ZINC000161047889 455526661 /nfs/dbraw/zinc/52/66/61/455526661.db2.gz AEVJVWKQAMNKIU-INIZCTEOSA-N 1 0 337.427 3.018 10 70 EGIERO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000161416403 455568996 /nfs/dbraw/zinc/56/89/96/455568996.db2.gz RPOBXJPRIKZQNX-MRXNPFEDSA-N 1 0 334.423 3.499 10 70 EGIERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159534978 225235297 /nfs/dbraw/zinc/23/52/97/225235297.db2.gz VNEOACPXSWIJQB-ZDUSSCGKSA-N 1 0 344.484 3.177 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(OCCF)c2)CC1 ZINC000161009381 264887716 /nfs/dbraw/zinc/88/77/16/264887716.db2.gz XRUFWMKXXQVNDG-UHFFFAOYSA-N 1 0 337.439 3.277 10 70 EGIERO CCOC(C)(C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000159390425 307873054 /nfs/dbraw/zinc/87/30/54/307873054.db2.gz NOMCTORXHNRWAC-NSHDSACASA-N 1 0 336.259 3.138 10 70 EGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702467 455397326 /nfs/dbraw/zinc/39/73/26/455397326.db2.gz VFUAYBYFAGAYMN-MWLCHTKSSA-N 1 0 332.778 3.027 10 70 EGIERO O=C(NCc1ccccc1OC1CCC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000159711952 455397362 /nfs/dbraw/zinc/39/73/62/455397362.db2.gz ZJBYRMBAPIVEHN-FQEVSTJZSA-N 1 0 336.435 3.121 10 70 EGIERO Cc1cnn([C@H]2CCC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)c1 ZINC000159467542 455378135 /nfs/dbraw/zinc/37/81/35/455378135.db2.gz FLNGQMRFEHQBRE-IBGZPJMESA-N 1 0 330.451 3.100 10 70 EGIERO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000160135766 455431754 /nfs/dbraw/zinc/43/17/54/455431754.db2.gz PHZTZTDNKNMDQM-OAHLLOKOSA-N 1 0 342.530 3.004 10 70 EGIERO CC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1C ZINC000160470854 455463576 /nfs/dbraw/zinc/46/35/76/455463576.db2.gz QRYRPYQKXAUPLT-QGZVFWFLSA-N 1 0 346.475 3.195 10 70 EGIERO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160483546 455464356 /nfs/dbraw/zinc/46/43/56/455464356.db2.gz CUHIBKKROHYFFH-MRXNPFEDSA-N 1 0 344.480 3.496 10 70 EGIERO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCCc2sccc21 ZINC000160483685 455464868 /nfs/dbraw/zinc/46/48/68/455464868.db2.gz CUHIBKKROHYFFH-INIZCTEOSA-N 1 0 344.480 3.496 10 70 EGIERO CN1CCC(CNC(=O)C2CCC(C)(C)CC2)([NH+]2CCCCC2)CC1 ZINC000160743407 455493775 /nfs/dbraw/zinc/49/37/75/455493775.db2.gz MRRKUXVOTXPRTF-UHFFFAOYSA-N 1 0 349.563 3.269 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161201120 455547778 /nfs/dbraw/zinc/54/77/78/455547778.db2.gz PFUJHWDXUZJWCI-HOCLYGCPSA-N 1 0 342.487 3.302 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000161333071 455559869 /nfs/dbraw/zinc/55/98/69/455559869.db2.gz XSSZTRGMNBGZID-INIZCTEOSA-N 1 0 337.427 3.333 10 70 EGIERO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000161425679 455569455 /nfs/dbraw/zinc/56/94/55/455569455.db2.gz NCOOHVZVHVYHNB-OAHLLOKOSA-N 1 0 345.464 3.322 10 70 EGIERO COc1cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc(OC)c1OC ZINC000161473233 455573498 /nfs/dbraw/zinc/57/34/98/455573498.db2.gz UPQRGTLFXROOOZ-WMLDXEAASA-N 1 0 345.439 3.139 10 70 EGIERO Cc1cccc([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000159792453 546941459 /nfs/dbraw/zinc/94/14/59/546941459.db2.gz NVUOWQLMTOGVRX-CTNGQTDRSA-N 1 0 339.483 3.020 10 70 EGIERO Cc1nccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Cl ZINC000159972245 546943022 /nfs/dbraw/zinc/94/30/22/546943022.db2.gz XUEIRORNCAZXKA-HNNXBMFYSA-N 1 0 346.862 3.338 10 70 EGIERO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161050053 546952014 /nfs/dbraw/zinc/95/20/14/546952014.db2.gz WMFQIHUAWBQHIM-YVWKXTFCSA-N 1 0 334.504 3.009 10 70 EGIERO O=C(NCc1ccccc1OC1CCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000159712065 455397417 /nfs/dbraw/zinc/39/74/17/455397417.db2.gz ZJBYRMBAPIVEHN-HXUWFJFHSA-N 1 0 336.435 3.121 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H](C)c1cccs1 ZINC000159760199 455401411 /nfs/dbraw/zinc/40/14/11/455401411.db2.gz OLPPBOHNBJYDBB-CYBMUJFWSA-N 1 0 337.514 3.335 10 70 EGIERO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159785475 455404277 /nfs/dbraw/zinc/40/42/77/455404277.db2.gz OZFYTCNCEFZJAF-INIZCTEOSA-N 1 0 334.485 3.144 10 70 EGIERO CCN(CCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1)S(C)(=O)=O ZINC000160095092 455428905 /nfs/dbraw/zinc/42/89/05/455428905.db2.gz JPLRVUFLUVJSCF-WYMLVPIESA-N 1 0 344.908 3.005 10 70 EGIERO Cc1cc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)ccc1F ZINC000160683439 455488166 /nfs/dbraw/zinc/48/81/66/455488166.db2.gz KDWASNMHLQNBNO-BEFAXECRSA-N 1 0 345.418 3.311 10 70 EGIERO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159611614 455389114 /nfs/dbraw/zinc/38/91/14/455389114.db2.gz YPHCJYGTOTZFHA-YJBOKZPZSA-N 1 0 338.451 3.448 10 70 EGIERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3ccc(Cl)cc31)CC2 ZINC000160320724 455447668 /nfs/dbraw/zinc/44/76/68/455447668.db2.gz VQCZHMKTSQCHHN-HIFRSBDPSA-N 1 0 332.835 3.058 10 70 EGIERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H]1COc2ccccc21 ZINC000160372645 455451792 /nfs/dbraw/zinc/45/17/92/455451792.db2.gz IYWBBZLGULDUAH-MAUKXSAKSA-N 1 0 345.487 3.115 10 70 EGIERO O=C(c1cc(Br)ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160749805 455494735 /nfs/dbraw/zinc/49/47/35/455494735.db2.gz FECMVZANLZIALM-PHIMTYICSA-N 1 0 343.652 3.069 10 70 EGIERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161129510 455537005 /nfs/dbraw/zinc/53/70/05/455537005.db2.gz YNAZQZIFCIBODM-CTNGQTDRSA-N 1 0 344.499 3.051 10 70 EGIERO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161248946 455552537 /nfs/dbraw/zinc/55/25/37/455552537.db2.gz KGTFBMWCIJXOTL-HZPDHXFCSA-N 1 0 342.405 3.446 10 70 EGIERO CCC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[NH+](C)C ZINC000161372542 455563701 /nfs/dbraw/zinc/56/37/01/455563701.db2.gz QFKZAYKTTNNAQD-OAHLLOKOSA-N 1 0 329.400 3.201 10 70 EGIERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[NH+](C)C ZINC000161372434 455564024 /nfs/dbraw/zinc/56/40/24/455564024.db2.gz QFKZAYKTTNNAQD-HNNXBMFYSA-N 1 0 329.400 3.201 10 70 EGIERO Cc1ccn(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000161413714 455568182 /nfs/dbraw/zinc/56/81/82/455568182.db2.gz NMISKVRQVGEFHG-UHFFFAOYSA-N 1 0 344.378 3.014 10 70 EGIERO COc1cc(OC)cc([C@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000161478287 455573995 /nfs/dbraw/zinc/57/39/95/455573995.db2.gz LJMCXLPHFDSWNB-KRWDZBQOSA-N 1 0 332.488 3.369 10 70 EGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H](C)c1nc2ccccc2s1 ZINC000159525429 533380714 /nfs/dbraw/zinc/38/07/14/533380714.db2.gz AXWLFUWVUODVGA-ZIAGYGMSSA-N 1 0 331.485 3.390 10 70 EGIERO O=C(NCCCc1cccc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159521382 307875332 /nfs/dbraw/zinc/87/53/32/307875332.db2.gz ZJUFQXMMXORSJS-IBGZPJMESA-N 1 0 347.478 3.418 10 70 EGIERO CCC(CC)(CNC(=O)C[C@@H](O)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000160049076 307883972 /nfs/dbraw/zinc/88/39/72/307883972.db2.gz QXGLCPQHJDMWAR-FUHWJXTLSA-N 1 0 334.504 3.419 10 70 EGIERO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159611775 455389481 /nfs/dbraw/zinc/38/94/81/455389481.db2.gz YPHCJYGTOTZFHA-CRAIPNDOSA-N 1 0 338.451 3.448 10 70 EGIERO c1nc2ccccn2c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000160440893 455459140 /nfs/dbraw/zinc/45/91/40/455459140.db2.gz MVLRCOPHHQCZBZ-SFHVURJKSA-N 1 0 326.488 3.422 10 70 EGIERO CCC[C@H](C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[NH+](C)C ZINC000159697494 455396315 /nfs/dbraw/zinc/39/63/15/455396315.db2.gz MIPVLTATLLSFAE-GOEBONIOSA-N 1 0 349.544 3.458 10 70 EGIERO Cc1cccc(OC[C@@H](O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159815949 455407177 /nfs/dbraw/zinc/40/71/77/455407177.db2.gz GWPDQHZXAVWIFG-INIZCTEOSA-N 1 0 334.485 3.144 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)C1CCC(C)CC1 ZINC000159845418 455409359 /nfs/dbraw/zinc/40/93/59/455409359.db2.gz VGOFSFXLOFNEQV-UHFFFAOYSA-N 1 0 337.533 3.433 10 70 EGIERO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000160442827 455459322 /nfs/dbraw/zinc/45/93/22/455459322.db2.gz HCECLADPZOVZRY-UHFFFAOYSA-N 1 0 343.423 3.115 10 70 EGIERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000160797595 455500251 /nfs/dbraw/zinc/50/02/51/455500251.db2.gz BEJQSERQEVDYKG-OWYHZJEWSA-N 1 0 345.487 3.031 10 70 EGIERO CCOc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1OC ZINC000160958617 455518459 /nfs/dbraw/zinc/51/84/59/455518459.db2.gz YXUGVTRAMGBEPW-MRXNPFEDSA-N 1 0 349.475 3.336 10 70 EGIERO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000161043156 455526556 /nfs/dbraw/zinc/52/65/56/455526556.db2.gz RTZYIEIQXXLBPN-OWCLPIDISA-N 1 0 329.362 3.382 10 70 EGIERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cncc(F)c1 ZINC000161073644 455529772 /nfs/dbraw/zinc/52/97/72/455529772.db2.gz MYCCIJPCLOVECG-OAHLLOKOSA-N 1 0 337.398 3.282 10 70 EGIERO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000161099650 455532787 /nfs/dbraw/zinc/53/27/87/455532787.db2.gz IDKSQJLHUVVXHH-LSDHHAIUSA-N 1 0 330.453 3.327 10 70 EGIERO CCC[C@H](C(=O)N[C@H](C)c1ccccc1Br)[NH+](C)C ZINC000161243155 455552047 /nfs/dbraw/zinc/55/20/47/455552047.db2.gz NGWLGWYXRWOTPF-BXUZGUMPSA-N 1 0 327.266 3.357 10 70 EGIERO Cc1ccc(OCCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000161347093 455560663 /nfs/dbraw/zinc/56/06/63/455560663.db2.gz UDRVBWDSHSUKCH-JWTNVVGKSA-N 1 0 330.472 3.204 10 70 EGIERO CC[C@@](C)(O)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000161461719 455572438 /nfs/dbraw/zinc/57/24/38/455572438.db2.gz KPRRZJGPBWMPPC-LJQANCHMSA-N 1 0 340.508 3.259 10 70 EGIERO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160192264 534233985 /nfs/dbraw/zinc/23/39/85/534233985.db2.gz IDNLEDKGGGDXMI-ZLPCBKJTSA-N 1 0 347.503 3.085 10 70 EGIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000160567433 534430767 /nfs/dbraw/zinc/43/07/67/534430767.db2.gz ASULRNWOCNFQNG-QGZVFWFLSA-N 1 0 332.492 3.221 10 70 EGIERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000160537225 537706173 /nfs/dbraw/zinc/70/61/73/537706173.db2.gz ANUNOJAAZPLFPH-ZIAGYGMSSA-N 1 0 339.277 3.186 10 70 EGIERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160839762 275196218 /nfs/dbraw/zinc/19/62/18/275196218.db2.gz KCDAAJWBSOQCAQ-HOTGVXAUSA-N 1 0 328.460 3.218 10 70 EGIERO C[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(Br)cc1 ZINC000160787065 307894747 /nfs/dbraw/zinc/89/47/47/307894747.db2.gz IBQNOGSXWIUVPX-GFCCVEGCSA-N 1 0 341.293 3.399 10 70 EGIERO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000160948278 307896436 /nfs/dbraw/zinc/89/64/36/307896436.db2.gz OCBMWOUCLDPHIC-MOPGFXCFSA-N 1 0 329.488 3.306 10 70 EGIERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCOC1 ZINC000161126645 307899088 /nfs/dbraw/zinc/89/90/88/307899088.db2.gz XMNNGKJQAHAESG-CLCXKQKWSA-N 1 0 338.442 3.334 10 70 EGIERO CCCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159653021 455393948 /nfs/dbraw/zinc/39/39/48/455393948.db2.gz AJGKHJDTQBHGNG-DOTOQJQBSA-N 1 0 348.487 3.350 10 70 EGIERO Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)s2)cc1 ZINC000159703306 455397216 /nfs/dbraw/zinc/39/72/16/455397216.db2.gz DZSAQOVUJLCKBF-ZFWWWQNUSA-N 1 0 329.469 3.204 10 70 EGIERO O=C(NC[C@@H]1C[C@H]1c1ccccc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159790257 455403846 /nfs/dbraw/zinc/40/38/46/455403846.db2.gz QZCGKUIULLKRKU-ICSRJNTNSA-N 1 0 334.463 3.228 10 70 EGIERO Clc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc2c1OCCO2 ZINC000160655906 455485346 /nfs/dbraw/zinc/48/53/46/455485346.db2.gz UOOMFANFMRTHOT-UHFFFAOYSA-N 1 0 333.819 3.214 10 70 EGIERO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842391 455409060 /nfs/dbraw/zinc/40/90/60/455409060.db2.gz PCSNEEBLTFGXBA-SJORKVTESA-N 1 0 339.483 3.450 10 70 EGIERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000160064124 455425197 /nfs/dbraw/zinc/42/51/97/455425197.db2.gz MPGIYUNKJXOPFG-RDTXWAMCSA-N 1 0 333.451 3.234 10 70 EGIERO C[C@H](c1nc(Cc2ccccc2)no1)N1CCC([NH+]2CCCC2)CC1 ZINC000160594605 455478005 /nfs/dbraw/zinc/47/80/05/455478005.db2.gz SHYJMVNHJVIBAB-MRXNPFEDSA-N 1 0 340.471 3.282 10 70 EGIERO O[C@]12CCCC[C@@H]1CN(Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000160721141 455491922 /nfs/dbraw/zinc/49/19/22/455491922.db2.gz KAFNLGTWJVCWPC-KDOFPFPSSA-N 1 0 346.862 3.048 10 70 EGIERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1Br ZINC000161174076 455544594 /nfs/dbraw/zinc/54/45/94/455544594.db2.gz PSDJTLIUJZIWDX-CYBMUJFWSA-N 1 0 341.293 3.464 10 70 EGIERO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161251167 455552334 /nfs/dbraw/zinc/55/23/34/455552334.db2.gz GQUDYMRTQUXWKT-AABGKKOBSA-N 1 0 344.499 3.063 10 70 EGIERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c2ccccc12 ZINC000161401483 455566414 /nfs/dbraw/zinc/56/64/14/455566414.db2.gz GRYGLDMWHXEFRI-KDOFPFPSSA-N 1 0 326.440 3.307 10 70 EGIERO COc1cc(OC)cc([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)c1 ZINC000161478154 455573869 /nfs/dbraw/zinc/57/38/69/455573869.db2.gz LJMCXLPHFDSWNB-QGZVFWFLSA-N 1 0 332.488 3.369 10 70 EGIERO C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161360064 546954911 /nfs/dbraw/zinc/95/49/11/546954911.db2.gz FMFWYCLFIJWTFH-OAHLLOKOSA-N 1 0 335.411 3.015 10 70 EGIERO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1NC(C)=O ZINC000160061569 225329162 /nfs/dbraw/zinc/32/91/62/225329162.db2.gz GHMWFDLCDPCHLT-KPZWWZAWSA-N 1 0 348.468 3.273 10 70 EGIERO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159433507 307873503 /nfs/dbraw/zinc/87/35/03/307873503.db2.gz PGRFHXMQSXJYAW-BEFAXECRSA-N 1 0 336.476 3.189 10 70 EGIERO CCN(CC1CC[NH+](C[C@](C)(O)CC)CC1)C(=O)OC(C)(C)C ZINC000161351734 307901847 /nfs/dbraw/zinc/90/18/47/307901847.db2.gz WGBZDHRUFIYFRY-GOSISDBHSA-N 1 0 328.497 3.116 10 70 EGIERO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159611912 455389338 /nfs/dbraw/zinc/38/93/38/455389338.db2.gz YPHCJYGTOTZFHA-MAUKXSAKSA-N 1 0 338.451 3.448 10 70 EGIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OCCC(C)C ZINC000159620104 455390624 /nfs/dbraw/zinc/39/06/24/455390624.db2.gz SOJZDFOTHBAUNH-WBVHZDCISA-N 1 0 348.487 3.206 10 70 EGIERO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000160382857 455453196 /nfs/dbraw/zinc/45/31/96/455453196.db2.gz IRUBLRRKEGFOMW-LPHOPBHVSA-N 1 0 330.472 3.002 10 70 EGIERO COc1c(F)cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000159417198 455376591 /nfs/dbraw/zinc/37/65/91/455376591.db2.gz UZEOPXQAMNGKNY-UHFFFAOYSA-N 1 0 341.402 3.215 10 70 EGIERO CCC[C@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000159424411 455376701 /nfs/dbraw/zinc/37/67/01/455376701.db2.gz PPBDNNWNHCWMLW-DZGCQCFKSA-N 1 0 338.521 3.044 10 70 EGIERO CCCCn1ncc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000159926552 455415418 /nfs/dbraw/zinc/41/54/18/455415418.db2.gz UCNZAUXXKFPUOQ-YOEHRIQHSA-N 1 0 335.496 3.186 10 70 EGIERO COc1ccc(-c2cnc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160618379 455480842 /nfs/dbraw/zinc/48/08/42/455480842.db2.gz HMWAHPSSACLVJO-UZLBHIALSA-N 1 0 342.439 3.477 10 70 EGIERO CCC[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C ZINC000161219762 455549438 /nfs/dbraw/zinc/54/94/38/455549438.db2.gz UZOQHPSACGCSIB-CQSZACIVSA-N 1 0 327.266 3.138 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000161272375 455555050 /nfs/dbraw/zinc/55/50/50/455555050.db2.gz JZQYEAJNPDDPOR-CQSZACIVSA-N 1 0 336.386 3.279 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000161353358 455562198 /nfs/dbraw/zinc/56/21/98/455562198.db2.gz RGYDECZPLWDYED-CQSZACIVSA-N 1 0 336.386 3.279 10 70 EGIERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161301820 528649906 /nfs/dbraw/zinc/64/99/06/528649906.db2.gz ZDWTUNVCJGHFGY-AWEZNQCLSA-N 1 0 328.460 3.123 10 70 EGIERO CC(C)[NH+](CCCNC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)C(C)C ZINC000159385058 546937373 /nfs/dbraw/zinc/93/73/73/546937373.db2.gz JZQYUQACBOYFBL-KRWDZBQOSA-N 1 0 349.519 3.474 10 70 EGIERO CS(=O)(=O)CCCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000161318139 546954340 /nfs/dbraw/zinc/95/43/40/546954340.db2.gz DGAULOPRTCKFLV-UHFFFAOYSA-N 1 0 334.485 3.172 10 70 EGIERO CCOCc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000159851440 264864311 /nfs/dbraw/zinc/86/43/11/264864311.db2.gz FSGBPHWTTBSEAO-UHFFFAOYSA-N 1 0 333.476 3.465 10 70 EGIERO COC[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000161231063 274044764 /nfs/dbraw/zinc/04/47/64/274044764.db2.gz KLGVYXCHCWLUOI-ZIAGYGMSSA-N 1 0 326.234 3.287 10 70 EGIERO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160906521 276300964 /nfs/dbraw/zinc/30/09/64/276300964.db2.gz JJTYGOZJVQZSKK-SQGPQFPESA-N 1 0 330.472 3.055 10 70 EGIERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nccs1 ZINC000160811349 278379038 /nfs/dbraw/zinc/37/90/38/278379038.db2.gz MPQJWRBWJVAQHR-CHWSQXEVSA-N 1 0 341.440 3.007 10 70 EGIERO CCc1ccc([C@H](CNC(=O)[C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000160376980 307888898 /nfs/dbraw/zinc/88/88/98/307888898.db2.gz IJHZWNVFPJDBNI-KXBFYZLASA-N 1 0 332.488 3.031 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N1CCC(C)CC1 ZINC000160817808 455502008 /nfs/dbraw/zinc/50/20/08/455502008.db2.gz CIHKJHPCVJNZMT-DLBZAZTESA-N 1 0 340.471 3.170 10 70 EGIERO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1NC(C)=O ZINC000159407723 455375506 /nfs/dbraw/zinc/37/55/06/455375506.db2.gz AFQGDAYVYORFQJ-IFXJQAMLSA-N 1 0 336.476 3.491 10 70 EGIERO CC(C)CCn1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000159648626 455392345 /nfs/dbraw/zinc/39/23/45/455392345.db2.gz ZGLNZYNJURZKFL-QGZVFWFLSA-N 1 0 343.475 3.354 10 70 EGIERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000159892863 455413912 /nfs/dbraw/zinc/41/39/12/455413912.db2.gz QAMINOHNHVRHKF-SWLSCSKDSA-N 1 0 339.842 3.072 10 70 EGIERO Cc1ccccc1-c1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160461441 455462574 /nfs/dbraw/zinc/46/25/74/455462574.db2.gz ZSCJXAUALFAKBU-OKILXGFUSA-N 1 0 327.453 3.085 10 70 EGIERO CCn1cc(C2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)cn1 ZINC000160470013 455463993 /nfs/dbraw/zinc/46/39/93/455463993.db2.gz GIBJHHFEQXPHOB-SFHVURJKSA-N 1 0 335.398 3.094 10 70 EGIERO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(C2CCCCC2)cc1 ZINC000160574485 455475668 /nfs/dbraw/zinc/47/56/68/455475668.db2.gz QGKYXVQQWNCWCF-UHFFFAOYSA-N 1 0 344.499 3.168 10 70 EGIERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160809535 455500924 /nfs/dbraw/zinc/50/09/24/455500924.db2.gz BSNUWPHRIDQWAE-GJZGRUSLSA-N 1 0 328.460 3.216 10 70 EGIERO CCC[C@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)[NH+](C)C ZINC000161223732 455549406 /nfs/dbraw/zinc/54/94/06/455549406.db2.gz MMUAZBSKSBIONT-MRXNPFEDSA-N 1 0 329.444 3.264 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000161262137 455553781 /nfs/dbraw/zinc/55/37/81/455553781.db2.gz OODNWUMYCOWQIE-LJQANCHMSA-N 1 0 342.487 3.127 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000161343082 455560900 /nfs/dbraw/zinc/56/09/00/455560900.db2.gz KUIALRJEJPBNEG-KRWDZBQOSA-N 1 0 328.460 3.255 10 70 EGIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000159730084 528895665 /nfs/dbraw/zinc/89/56/65/528895665.db2.gz ADZZXRDIVASTIR-HNNXBMFYSA-N 1 0 345.409 3.142 10 70 EGIERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000160557822 264878470 /nfs/dbraw/zinc/87/84/70/264878470.db2.gz OCAAXWWTCSLLGK-KRWDZBQOSA-N 1 0 331.460 3.314 10 70 EGIERO CCN(C(=O)c1ccc[nH]c1=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000160825762 279013060 /nfs/dbraw/zinc/01/30/60/279013060.db2.gz NJKHRCDBWRLZGI-DOTOQJQBSA-N 1 0 339.439 3.085 10 70 EGIERO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1NC(C)=O ZINC000159407603 455374981 /nfs/dbraw/zinc/37/49/81/455374981.db2.gz AFQGDAYVYORFQJ-LIRRHRJNSA-N 1 0 336.476 3.491 10 70 EGIERO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000160083265 455427712 /nfs/dbraw/zinc/42/77/12/455427712.db2.gz CZWWBPRCJUOYEK-GFCCVEGCSA-N 1 0 335.350 3.466 10 70 EGIERO Cc1cccc2nc(CN[C@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307476 455446371 /nfs/dbraw/zinc/44/63/71/455446371.db2.gz NPPCVPITNXPENQ-OAHLLOKOSA-N 1 0 332.411 3.074 10 70 EGIERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCN1C ZINC000161114154 455535948 /nfs/dbraw/zinc/53/59/48/455535948.db2.gz SYLCOIXUYBOBPQ-BZUAXINKSA-N 1 0 337.458 3.002 10 70 EGIERO CC1(NC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CCC1 ZINC000161131693 455538127 /nfs/dbraw/zinc/53/81/27/455538127.db2.gz GEARXJQXSJLOEU-ZDUSSCGKSA-N 1 0 337.414 3.171 10 70 EGIERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(Br)c1 ZINC000161179133 455544337 /nfs/dbraw/zinc/54/43/37/455544337.db2.gz DAMUHCWWSCYRIT-STQMWFEESA-N 1 0 337.261 3.066 10 70 EGIERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000161185660 455545467 /nfs/dbraw/zinc/54/54/67/455545467.db2.gz WVHNHJXBBCOHCC-HNAYVOBHSA-N 1 0 326.440 3.441 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000161295708 455556542 /nfs/dbraw/zinc/55/65/42/455556542.db2.gz JHLDCWZYGOGHAH-ZDUSSCGKSA-N 1 0 334.851 3.340 10 70 EGIERO CCC[C@H](C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161506451 455576585 /nfs/dbraw/zinc/57/65/85/455576585.db2.gz JWBDOTIDBBWUKS-BXUZGUMPSA-N 1 0 332.366 3.493 10 70 EGIERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000160137935 527821175 /nfs/dbraw/zinc/82/11/75/527821175.db2.gz YSAJMYDAMFYCSD-CJNGLKHVSA-N 1 0 338.879 3.080 10 70 EGIERO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160539014 535465719 /nfs/dbraw/zinc/46/57/19/535465719.db2.gz CSCTYTYPWBGLKG-IBGZPJMESA-N 1 0 340.471 3.199 10 70 EGIERO CCc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000161075396 546953668 /nfs/dbraw/zinc/95/36/68/546953668.db2.gz NWMKURUGMQXAPI-XLIONFOSSA-N 1 0 341.455 3.426 10 70 EGIERO COC[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000161230937 277599081 /nfs/dbraw/zinc/59/90/81/277599081.db2.gz KLGVYXCHCWLUOI-KGLIPLIRSA-N 1 0 326.234 3.287 10 70 EGIERO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(-c2ccncc2)n1 ZINC000160445019 301335880 /nfs/dbraw/zinc/33/58/80/301335880.db2.gz RWIPDRDRGWHHSO-GOSISDBHSA-N 1 0 337.471 3.302 10 70 EGIERO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(-c2cccnc2)n1 ZINC000160454022 301336106 /nfs/dbraw/zinc/33/61/06/301336106.db2.gz UUGOFOOUMBWEJV-GOSISDBHSA-N 1 0 337.471 3.302 10 70 EGIERO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000160386705 307889102 /nfs/dbraw/zinc/88/91/02/307889102.db2.gz UYRXLTFLSOYDJO-ZBFHGGJFSA-N 1 0 336.501 3.064 10 70 EGIERO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000160428399 307889680 /nfs/dbraw/zinc/88/96/80/307889680.db2.gz KJQGEXIMQBZAKE-QGZVFWFLSA-N 1 0 344.499 3.351 10 70 EGIERO C[C@@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(Br)cc1 ZINC000160786939 307894652 /nfs/dbraw/zinc/89/46/52/307894652.db2.gz IBQNOGSXWIUVPX-LBPRGKRZSA-N 1 0 341.293 3.399 10 70 EGIERO CC(C)c1csc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000160830795 455503661 /nfs/dbraw/zinc/50/36/61/455503661.db2.gz BRWXHFMFUUXSJB-HNNXBMFYSA-N 1 0 346.500 3.369 10 70 EGIERO CCOc1cc(Cl)ccc1CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000159739826 455399075 /nfs/dbraw/zinc/39/90/75/455399075.db2.gz SASZRNQZHZWYNM-HNNXBMFYSA-N 1 0 339.867 3.022 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000160439438 455458988 /nfs/dbraw/zinc/45/89/88/455458988.db2.gz UICAGRMMTKQZEO-DLBZAZTESA-N 1 0 330.472 3.179 10 70 EGIERO CCn1cc(C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cn1 ZINC000160461362 455462782 /nfs/dbraw/zinc/46/27/82/455462782.db2.gz ZLOCSOCMMZEKKW-UHFFFAOYSA-N 1 0 329.444 3.300 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000160533749 455470776 /nfs/dbraw/zinc/47/07/76/455470776.db2.gz WBEDYDRNTLGIBG-OAHLLOKOSA-N 1 0 344.459 3.196 10 70 EGIERO CCC[NH+](CCC)CCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160578813 455476085 /nfs/dbraw/zinc/47/60/85/455476085.db2.gz JVLQIRJKULDWMU-UHFFFAOYSA-N 1 0 330.476 3.390 10 70 EGIERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160860515 455506414 /nfs/dbraw/zinc/50/64/14/455506414.db2.gz BPXPYWBBIRSHAL-JYJNAYRXSA-N 1 0 328.460 3.216 10 70 EGIERO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(OC)c1 ZINC000160931813 455514829 /nfs/dbraw/zinc/51/48/29/455514829.db2.gz LICZJPIDZOYBSE-LJQANCHMSA-N 1 0 347.480 3.481 10 70 EGIERO COc1ccc(-c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000161264991 455554112 /nfs/dbraw/zinc/55/41/12/455554112.db2.gz FCJNOYWQLABQGP-RBUKOAKNSA-N 1 0 338.451 3.496 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000161328627 455559777 /nfs/dbraw/zinc/55/97/77/455559777.db2.gz LQFIHGVJSLBWJA-QGZVFWFLSA-N 1 0 328.460 3.173 10 70 EGIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1OC(F)(F)F ZINC000159482587 533847749 /nfs/dbraw/zinc/84/77/49/533847749.db2.gz NTIMLILDFQTSLV-LBPRGKRZSA-N 1 0 330.350 3.248 10 70 EGIERO CC[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1c(C)noc1C ZINC000160714069 546950083 /nfs/dbraw/zinc/95/00/83/546950083.db2.gz XLCGJDBIDJQBJC-DLBZAZTESA-N 1 0 329.444 3.032 10 70 EGIERO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000160127588 533435167 /nfs/dbraw/zinc/43/51/67/533435167.db2.gz WXRSHGZQJIEGSE-WFASDCNBSA-N 1 0 328.378 3.409 10 70 EGIERO Fc1cc(F)c2nccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000159554598 140941149 /nfs/dbraw/zinc/94/11/49/140941149.db2.gz OAQNUYNSZOJTCH-ZDUSSCGKSA-N 1 0 347.409 3.426 10 70 EGIERO C[NH+](C)Cc1cc(CNC(=O)c2ccnc(Cl)c2F)ccc1F ZINC000159634822 225252202 /nfs/dbraw/zinc/25/22/02/225252202.db2.gz OYKSCNKOKNCSBW-UHFFFAOYSA-N 1 0 339.773 3.005 10 70 EGIERO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000160151021 225349826 /nfs/dbraw/zinc/34/98/26/225349826.db2.gz YWSPDXHVTAJCBJ-KRWDZBQOSA-N 1 0 344.499 3.438 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1ccccc1-n1cccn1 ZINC000160799129 278361862 /nfs/dbraw/zinc/36/18/62/278361862.db2.gz FPDKATXGLAQHSF-CVEARBPZSA-N 1 0 340.471 3.360 10 70 EGIERO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000159420643 307873678 /nfs/dbraw/zinc/87/36/78/307873678.db2.gz JVWYLOWRWMUSME-KXBFYZLASA-N 1 0 336.476 3.189 10 70 EGIERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000161185769 307899880 /nfs/dbraw/zinc/89/98/80/307899880.db2.gz WVHNHJXBBCOHCC-BEFAXECRSA-N 1 0 326.440 3.441 10 70 EGIERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC/C=C/c3ccccc3)CC2)CCO1 ZINC000159540228 455384663 /nfs/dbraw/zinc/38/46/63/455384663.db2.gz AAHCNMJKZZBMGH-QKYXPGDISA-N 1 0 342.483 3.192 10 70 EGIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCCC(C)C ZINC000159620442 455390353 /nfs/dbraw/zinc/39/03/53/455390353.db2.gz SOJZDFOTHBAUNH-DOTOQJQBSA-N 1 0 348.487 3.206 10 70 EGIERO C[C@@H](COc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000159641040 455391750 /nfs/dbraw/zinc/39/17/50/455391750.db2.gz XCVHPJOHZIUNSS-HNAYVOBHSA-N 1 0 344.430 3.260 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000159878503 455412894 /nfs/dbraw/zinc/41/28/94/455412894.db2.gz YSXJRSXRHRRBCR-HZPDHXFCSA-N 1 0 337.533 3.433 10 70 EGIERO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160304251 455446881 /nfs/dbraw/zinc/44/68/81/455446881.db2.gz MVVQNLYNWFMPNC-MSOLQXFVSA-N 1 0 336.520 3.020 10 70 EGIERO Cc1cccc2[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)nc21 ZINC000160582326 455476319 /nfs/dbraw/zinc/47/63/19/455476319.db2.gz GXSPZQBRARNDKC-OAHLLOKOSA-N 1 0 340.471 3.142 10 70 EGIERO CCOCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC000160631447 455482459 /nfs/dbraw/zinc/48/24/59/455482459.db2.gz RAJNNIADHLTXSF-QGZVFWFLSA-N 1 0 339.524 3.003 10 70 EGIERO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C ZINC000160948245 455516698 /nfs/dbraw/zinc/51/66/98/455516698.db2.gz AQBGELSIYANKNW-OAGGEKHMSA-N 1 0 332.488 3.460 10 70 EGIERO COc1ccc(CNC(=O)CSCC[NH+](C(C)C)C(C)C)cc1 ZINC000160994930 455520984 /nfs/dbraw/zinc/52/09/84/455520984.db2.gz XCDZBLXHRCDQRD-UHFFFAOYSA-N 1 0 338.517 3.163 10 70 EGIERO COc1cc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc(OC)c1OC ZINC000161005326 455523163 /nfs/dbraw/zinc/52/31/63/455523163.db2.gz GQOKYJJALJTAHO-RHSMWYFYSA-N 1 0 345.439 3.487 10 70 EGIERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161177960 455544199 /nfs/dbraw/zinc/54/41/99/455544199.db2.gz IJWTVLJMOBJAQD-WIYYLYMNSA-N 1 0 344.499 3.377 10 70 EGIERO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1)[C@@H]1CCOC1 ZINC000161235017 455551450 /nfs/dbraw/zinc/55/14/50/455551450.db2.gz OGULUADSIIUAKP-UAGQMJEPSA-N 1 0 337.460 3.186 10 70 EGIERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C)ccc2O)CC1 ZINC000218508356 266194346 /nfs/dbraw/zinc/19/43/46/266194346.db2.gz AXQOOZIBNARVPN-UHFFFAOYSA-N 1 0 339.439 3.095 10 70 EGIERO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161251384 280806693 /nfs/dbraw/zinc/80/66/93/280806693.db2.gz GQUDYMRTQUXWKT-UFYCRDLUSA-N 1 0 344.499 3.063 10 70 EGIERO CCC[C@@H](C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[NH+](C)C ZINC000159697617 307878236 /nfs/dbraw/zinc/87/82/36/307878236.db2.gz MIPVLTATLLSFAE-ZBFHGGJFSA-N 1 0 349.544 3.458 10 70 EGIERO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000160558758 307891530 /nfs/dbraw/zinc/89/15/30/307891530.db2.gz ALHKZZCAMZSFOP-KRWDZBQOSA-N 1 0 344.499 3.351 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C1CC1)C1CCCC1 ZINC000159828636 455407973 /nfs/dbraw/zinc/40/79/73/455407973.db2.gz NRELNEDSKOFYJX-UHFFFAOYSA-N 1 0 335.517 3.330 10 70 EGIERO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000160382973 455453164 /nfs/dbraw/zinc/45/31/64/455453164.db2.gz IRUBLRRKEGFOMW-APWZRJJASA-N 1 0 330.472 3.002 10 70 EGIERO COc1cccc([C@H]2C[C@H]2C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160406132 455455153 /nfs/dbraw/zinc/45/51/53/455455153.db2.gz PIXZMRAEZJIJJK-BHIYHBOVSA-N 1 0 330.472 3.035 10 70 EGIERO Cc1csc(-c2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)n1 ZINC000159603635 455388140 /nfs/dbraw/zinc/38/81/40/455388140.db2.gz ZNBYSQMDUYCOPM-IYBDPMFKSA-N 1 0 327.453 3.085 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000159715859 455398458 /nfs/dbraw/zinc/39/84/58/455398458.db2.gz HBVSTXVTVMSRTE-FUHWJXTLSA-N 1 0 344.405 3.446 10 70 EGIERO CCOc1cc(Cl)ccc1CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000159739955 455399661 /nfs/dbraw/zinc/39/96/61/455399661.db2.gz SASZRNQZHZWYNM-OAHLLOKOSA-N 1 0 339.867 3.022 10 70 EGIERO CCNc1nc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000159741072 455399683 /nfs/dbraw/zinc/39/96/83/455399683.db2.gz AZIWUFSTICBKTQ-UHFFFAOYSA-N 1 0 344.484 3.101 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)CC1CCCCC1 ZINC000159806131 455405560 /nfs/dbraw/zinc/40/55/60/455405560.db2.gz NWGKQZZTHGQZPO-UHFFFAOYSA-N 1 0 337.533 3.435 10 70 EGIERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160065545 455425494 /nfs/dbraw/zinc/42/54/94/455425494.db2.gz SNSOVEHIYGBZEA-JKOKRWQUSA-N 1 0 325.250 3.001 10 70 EGIERO C[N@H+](Cc1ccccc1NC(=O)NC1(CO)CC1)C1CCCCC1 ZINC000160089839 455427600 /nfs/dbraw/zinc/42/76/00/455427600.db2.gz QQEJKQRPNHBLLY-UHFFFAOYSA-N 1 0 331.460 3.098 10 70 EGIERO C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)C[NH+]1CCCCC1 ZINC000160796642 455500021 /nfs/dbraw/zinc/50/00/21/455500021.db2.gz YGPUVPDTWWVJHV-QGZVFWFLSA-N 1 0 331.508 3.017 10 70 EGIERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161113763 455535417 /nfs/dbraw/zinc/53/54/17/455535417.db2.gz MDRFKLTYMFZYBJ-BEFAXECRSA-N 1 0 348.441 3.404 10 70 EGIERO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000161173983 455544174 /nfs/dbraw/zinc/54/41/74/455544174.db2.gz XBZSJFBEJCYBLR-QMTMVMCOSA-N 1 0 334.435 3.088 10 70 EGIERO CCC(C)(CC)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161197687 455546815 /nfs/dbraw/zinc/54/68/15/455546815.db2.gz HZZNDBQLNXDJGW-OAHLLOKOSA-N 1 0 332.492 3.485 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000161332421 455559988 /nfs/dbraw/zinc/55/99/88/455559988.db2.gz VJLWZHDWVQDPCJ-CQSZACIVSA-N 1 0 349.276 3.440 10 70 EGIERO CC1CCN(c2cccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000159748268 528268653 /nfs/dbraw/zinc/26/86/53/528268653.db2.gz PMBHPNIYLVXQLI-SFHVURJKSA-N 1 0 330.476 3.091 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000161400480 535264856 /nfs/dbraw/zinc/26/48/56/535264856.db2.gz BWDQBVIVAWYPKG-LPHOPBHVSA-N 1 0 329.488 3.135 10 70 EGIERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H](C)c1nc2ccccc2s1 ZINC000159883962 546942071 /nfs/dbraw/zinc/94/20/71/546942071.db2.gz WNVLUTSIAUUXHN-VXGBXAGGSA-N 1 0 340.514 3.201 10 70 EGIERO CC[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1c(C)noc1C ZINC000160714192 546949587 /nfs/dbraw/zinc/94/95/87/546949587.db2.gz XLCGJDBIDJQBJC-IAGOWNOFSA-N 1 0 329.444 3.032 10 70 EGIERO Cc1c(NC(=O)C2([NH3+])Cc3ccccc3C2)sc2c1CCCC2 ZINC000160986345 291569207 /nfs/dbraw/zinc/56/92/07/291569207.db2.gz LQWZBUDZKCJUGZ-UHFFFAOYSA-N 1 0 326.465 3.370 10 70 EGIERO CCOc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000159412085 140937640 /nfs/dbraw/zinc/93/76/40/140937640.db2.gz NBZPUEXRKDUGBC-UHFFFAOYSA-N 1 0 337.439 3.466 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N1CCCCCC1 ZINC000160838370 275196189 /nfs/dbraw/zinc/19/61/89/275196189.db2.gz IQFYJLWQKXZBAD-DLBZAZTESA-N 1 0 340.471 3.314 10 70 EGIERO CCC[C@H](C(=O)N(C)Cc1ccc(Br)s1)[NH+](C)C ZINC000161261213 276037175 /nfs/dbraw/zinc/03/71/75/276037175.db2.gz ZHIMWALUIZNFPF-LLVKDONJSA-N 1 0 333.295 3.199 10 70 EGIERO COC[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000161231180 277600627 /nfs/dbraw/zinc/60/06/27/277600627.db2.gz KLGVYXCHCWLUOI-KBPBESRZSA-N 1 0 326.234 3.287 10 70 EGIERO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000217966212 279545842 /nfs/dbraw/zinc/54/58/42/279545842.db2.gz AXPJNBVWYXKGOU-BPNCWPANSA-N 1 0 326.234 3.430 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COCc1cccs1 ZINC000159755816 455400380 /nfs/dbraw/zinc/40/03/80/455400380.db2.gz RDKQCMRAUYYNLG-AWEZNQCLSA-N 1 0 340.514 3.035 10 70 EGIERO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160383698 455452871 /nfs/dbraw/zinc/45/28/71/455452871.db2.gz ONXPVTBIZJLQBR-MRXNPFEDSA-N 1 0 327.472 3.255 10 70 EGIERO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160567289 455475042 /nfs/dbraw/zinc/47/50/42/455475042.db2.gz VOVSUSVGTQUIOK-OAQYLSRUSA-N 1 0 340.442 3.435 10 70 EGIERO CCC[C@@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)[NH+](C)C ZINC000159424252 455376309 /nfs/dbraw/zinc/37/63/09/455376309.db2.gz PPBDNNWNHCWMLW-ZFWWWQNUSA-N 1 0 338.521 3.044 10 70 EGIERO CC[NH+](CC)CCNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000160552778 455474080 /nfs/dbraw/zinc/47/40/80/455474080.db2.gz NVUOGKSKLTZRTF-CYBMUJFWSA-N 1 0 341.293 3.401 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160462289 455462407 /nfs/dbraw/zinc/46/24/07/455462407.db2.gz XMHACRQBMQYBBW-BMFZPTHFSA-N 1 0 336.426 3.305 10 70 EGIERO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cnn1-c1ccccc1 ZINC000160531995 455470740 /nfs/dbraw/zinc/47/07/40/455470740.db2.gz BNBCVRZVZIOFCP-GOSISDBHSA-N 1 0 340.471 3.031 10 70 EGIERO Cc1cccc2c(CCC(=O)NCC[N@H+]3CCCC[C@H]3C)c[nH]c21 ZINC000160578010 455476234 /nfs/dbraw/zinc/47/62/34/455476234.db2.gz DYQIHLUAPZQRGT-MRXNPFEDSA-N 1 0 327.472 3.400 10 70 EGIERO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000160613169 455480345 /nfs/dbraw/zinc/48/03/45/455480345.db2.gz HRMQCFIVGLVDOK-SSDOTTSWSA-N 1 0 329.149 3.323 10 70 EGIERO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000161099887 455532959 /nfs/dbraw/zinc/53/29/59/455532959.db2.gz IDKSQJLHUVVXHH-HUUCEWRRSA-N 1 0 330.453 3.327 10 70 EGIERO CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000161123547 455536899 /nfs/dbraw/zinc/53/68/99/455536899.db2.gz NGZIMGQAFPOARJ-ZBFHGGJFSA-N 1 0 348.441 3.496 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000161295614 455556239 /nfs/dbraw/zinc/55/62/39/455556239.db2.gz JHLDCWZYGOGHAH-CYBMUJFWSA-N 1 0 334.851 3.340 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)[C@@H](C)C1 ZINC000161405895 455566643 /nfs/dbraw/zinc/56/66/43/455566643.db2.gz PWFKNGHOTQWCPO-KXBFYZLASA-N 1 0 339.439 3.332 10 70 EGIERO C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000161506680 455576670 /nfs/dbraw/zinc/57/66/70/455576670.db2.gz DTOCZOHFDUQBTM-IPJUCJBFSA-N 1 0 336.520 3.208 10 70 EGIERO COc1ccc(N(C)C(=O)c2ccccc2OCC[NH+](C)C)cc1F ZINC000159642141 533980768 /nfs/dbraw/zinc/98/07/68/533980768.db2.gz WCAANQYVYCNKPO-UHFFFAOYSA-N 1 0 346.402 3.051 10 70 EGIERO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000161479061 533410879 /nfs/dbraw/zinc/41/08/79/533410879.db2.gz XDSNYRHOOIXSBN-QAPCUYQASA-N 1 0 327.424 3.275 10 70 EGIERO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000159362812 307872694 /nfs/dbraw/zinc/87/26/94/307872694.db2.gz MKNDCYGKXACHLU-OAQYLSRUSA-N 1 0 332.532 3.470 10 70 EGIERO CC(C)c1ncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000159489508 307874742 /nfs/dbraw/zinc/87/47/42/307874742.db2.gz PBGWKLHOVRVGHA-HNNXBMFYSA-N 1 0 331.485 3.169 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)Cc1cc2ccccc2[nH]c1=O ZINC000159832459 455407835 /nfs/dbraw/zinc/40/78/35/455407835.db2.gz CIUUSPXJHBRCCM-UHFFFAOYSA-N 1 0 327.453 3.438 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000159754520 455400514 /nfs/dbraw/zinc/40/05/14/455400514.db2.gz IUAQTYVUNIHQKD-UHFFFAOYSA-N 1 0 349.475 3.194 10 70 EGIERO CCCCn1ncc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000159926405 455415877 /nfs/dbraw/zinc/41/58/77/455415877.db2.gz UCNZAUXXKFPUOQ-WMLDXEAASA-N 1 0 335.496 3.186 10 70 EGIERO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@](C)(O)CC ZINC000160425188 455457005 /nfs/dbraw/zinc/45/70/05/455457005.db2.gz HFKICODRBNSYKJ-OAHLLOKOSA-N 1 0 333.259 3.415 10 70 EGIERO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000160772071 455497258 /nfs/dbraw/zinc/49/72/58/455497258.db2.gz VTSLXZPGESYCCL-UONOGXRCSA-N 1 0 343.475 3.135 10 70 EGIERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159815358 455407339 /nfs/dbraw/zinc/40/73/39/455407339.db2.gz XALSHEFZIYZUCJ-QGZVFWFLSA-N 1 0 348.512 3.453 10 70 EGIERO CC[C@H]([NH2+]CCOCCOc1ccccc1)c1c(C)nn(C)c1C ZINC000160753048 455495101 /nfs/dbraw/zinc/49/51/01/455495101.db2.gz UZVBJFMEVXNOEM-SFHVURJKSA-N 1 0 331.460 3.173 10 70 EGIERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160873111 455507190 /nfs/dbraw/zinc/50/71/90/455507190.db2.gz BDAUJXDCRDDMSO-GJZGRUSLSA-N 1 0 328.460 3.216 10 70 EGIERO CCn1cc([C@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000161123416 455537423 /nfs/dbraw/zinc/53/74/23/455537423.db2.gz NGZIMGQAFPOARJ-GOEBONIOSA-N 1 0 348.441 3.496 10 70 EGIERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161147090 455540139 /nfs/dbraw/zinc/54/01/39/455540139.db2.gz GPUJEWODJQEMMH-UHFFFAOYSA-N 1 0 347.434 3.223 10 70 EGIERO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000161163211 455541910 /nfs/dbraw/zinc/54/19/10/455541910.db2.gz LQBKDKOPHDHBQO-UHFFFAOYSA-N 1 0 342.830 3.432 10 70 EGIERO C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000161410032 455568208 /nfs/dbraw/zinc/56/82/08/455568208.db2.gz WQMGLYIZNQJFIF-QGZVFWFLSA-N 1 0 336.520 3.164 10 70 EGIERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000160138073 527745999 /nfs/dbraw/zinc/74/59/99/527745999.db2.gz YSAJMYDAMFYCSD-CZUORRHYSA-N 1 0 338.879 3.080 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000159714891 225265263 /nfs/dbraw/zinc/26/52/63/225265263.db2.gz GSJYJUIEVNJJMN-IAGOWNOFSA-N 1 0 344.405 3.446 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccccc1-n1cccn1 ZINC000160838262 275196197 /nfs/dbraw/zinc/19/61/97/275196197.db2.gz IQFYJLWQKXZBAD-SJORKVTESA-N 1 0 340.471 3.314 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000159715705 455397409 /nfs/dbraw/zinc/39/74/09/455397409.db2.gz HBVSTXVTVMSRTE-AEFFLSMTSA-N 1 0 344.405 3.446 10 70 EGIERO C[NH+](C)C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000160545685 455473181 /nfs/dbraw/zinc/47/31/81/455473181.db2.gz GPDYVNOSWGAFLK-GOEBONIOSA-N 1 0 345.468 3.027 10 70 EGIERO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159433398 455377265 /nfs/dbraw/zinc/37/72/65/455377265.db2.gz PGRFHXMQSXJYAW-HNAYVOBHSA-N 1 0 336.476 3.189 10 70 EGIERO Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159744518 455399874 /nfs/dbraw/zinc/39/98/74/455399874.db2.gz LJEHWZDIVNQENU-UHFFFAOYSA-N 1 0 330.403 3.482 10 70 EGIERO Fc1cccc(-c2noc([C@@H]3CCC[N@H+](CCOCC4CC4)C3)n2)c1 ZINC000160152515 455433154 /nfs/dbraw/zinc/43/31/54/455433154.db2.gz IPCMCWIORXBKAK-MRXNPFEDSA-N 1 0 345.418 3.482 10 70 EGIERO CCn1cc(C2CC[NH+](Cc3cccc4c3OCCO4)CC2)cn1 ZINC000160467415 455462884 /nfs/dbraw/zinc/46/28/84/455462884.db2.gz YIJUBLGFONSKNS-UHFFFAOYSA-N 1 0 327.428 3.054 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000160525264 455469773 /nfs/dbraw/zinc/46/97/73/455469773.db2.gz NONHJBWHRLGMRT-MRXNPFEDSA-N 1 0 342.487 3.122 10 70 EGIERO C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161122132 455536924 /nfs/dbraw/zinc/53/69/24/455536924.db2.gz LYQUPBPKNQGBFC-HIFRSBDPSA-N 1 0 334.414 3.014 10 70 EGIERO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000161215448 455549565 /nfs/dbraw/zinc/54/95/65/455549565.db2.gz OLCHXQOCIWHOKX-SFHVURJKSA-N 1 0 330.451 3.435 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000161327295 455559173 /nfs/dbraw/zinc/55/91/73/455559173.db2.gz UPBFIXFYAIIIGS-CQSZACIVSA-N 1 0 334.851 3.210 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000161327547 455559194 /nfs/dbraw/zinc/55/91/94/455559194.db2.gz IVGVLMVIHUKESB-CQSZACIVSA-N 1 0 334.851 3.210 10 70 EGIERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000161442979 528227353 /nfs/dbraw/zinc/22/73/53/528227353.db2.gz FPSYJURQGROBCH-ZDUSSCGKSA-N 1 0 346.393 3.017 10 70 EGIERO Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161092255 292263844 /nfs/dbraw/zinc/26/38/44/292263844.db2.gz BOYAOVCRLNURDO-OAHLLOKOSA-N 1 0 345.447 3.105 10 70 EGIERO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160129469 225344528 /nfs/dbraw/zinc/34/45/28/225344528.db2.gz ZDUWSNWUSWKVIP-DOMZBBRYSA-N 1 0 328.378 3.094 10 70 EGIERO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000160383245 455453133 /nfs/dbraw/zinc/45/31/33/455453133.db2.gz IRUBLRRKEGFOMW-VQIMIIECSA-N 1 0 330.472 3.002 10 70 EGIERO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000159394467 455374138 /nfs/dbraw/zinc/37/41/38/455374138.db2.gz OUNWCJXIVBDJIV-UHFFFAOYSA-N 1 0 349.482 3.268 10 70 EGIERO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160515708 455468391 /nfs/dbraw/zinc/46/83/91/455468391.db2.gz XXVQPUDCVPRJTK-SJLPKXTDSA-N 1 0 332.488 3.425 10 70 EGIERO CCOc1ccccc1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160636198 455483307 /nfs/dbraw/zinc/48/33/07/455483307.db2.gz ACOBLWSCUGBSTN-UHFFFAOYSA-N 1 0 326.440 3.419 10 70 EGIERO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CCCCC1 ZINC000160805969 455500696 /nfs/dbraw/zinc/50/06/96/455500696.db2.gz HEWMGMLBQSBBQE-SQGPQFPESA-N 1 0 336.520 3.183 10 70 EGIERO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919769 455512856 /nfs/dbraw/zinc/51/28/56/455512856.db2.gz RNXYNRIIDBABAO-ZDUSSCGKSA-N 1 0 338.249 3.061 10 70 EGIERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cncc(F)c1 ZINC000161073515 455529890 /nfs/dbraw/zinc/52/98/90/455529890.db2.gz MYCCIJPCLOVECG-HNNXBMFYSA-N 1 0 337.398 3.282 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000161353467 455561715 /nfs/dbraw/zinc/56/17/15/455561715.db2.gz RGYDECZPLWDYED-AWEZNQCLSA-N 1 0 336.386 3.279 10 70 EGIERO C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CCOCC1 ZINC000161506558 455576404 /nfs/dbraw/zinc/57/64/04/455576404.db2.gz DTOCZOHFDUQBTM-IVMQYODDSA-N 1 0 336.520 3.208 10 70 EGIERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000160007477 526527482 /nfs/dbraw/zinc/52/74/82/526527482.db2.gz HNLBKUMVQWUGNY-QGZVFWFLSA-N 1 0 342.443 3.071 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)Cc1cccc(C(=O)N(C)C)c1 ZINC000159784440 546941536 /nfs/dbraw/zinc/94/15/36/546941536.db2.gz MTJODUMRZIDCKP-UHFFFAOYSA-N 1 0 331.485 3.298 10 70 EGIERO Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161092140 301728387 /nfs/dbraw/zinc/72/83/87/301728387.db2.gz BOYAOVCRLNURDO-HNNXBMFYSA-N 1 0 345.447 3.105 10 70 EGIERO CCC[C@@H](C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[NH+](C)C ZINC000159697360 307877796 /nfs/dbraw/zinc/87/77/96/307877796.db2.gz MIPVLTATLLSFAE-HOCLYGCPSA-N 1 0 349.544 3.458 10 70 EGIERO CCC[NH+]1CCC(CNC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159590247 455387085 /nfs/dbraw/zinc/38/70/85/455387085.db2.gz QBCJGAAERQRWTM-UHFFFAOYSA-N 1 0 335.496 3.173 10 70 EGIERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N1CCC(C)CC1 ZINC000160817921 455502176 /nfs/dbraw/zinc/50/21/76/455502176.db2.gz CIHKJHPCVJNZMT-IRXDYDNUSA-N 1 0 340.471 3.170 10 70 EGIERO CCc1cccc2c(CCNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)c[nH]c21 ZINC000159370456 455372363 /nfs/dbraw/zinc/37/23/63/455372363.db2.gz YQNMTZDTOTUAIN-MNEFBYGVSA-N 1 0 339.483 3.310 10 70 EGIERO CC1CC[NH+](C[C@@H](O)CNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000159406730 455375124 /nfs/dbraw/zinc/37/51/24/455375124.db2.gz IPMVRWKWGHFBTN-AWEZNQCLSA-N 1 0 335.398 3.018 10 70 EGIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607464 455389012 /nfs/dbraw/zinc/38/90/12/455389012.db2.gz LOZJTDWVVTZSMN-NVXWUHKLSA-N 1 0 348.450 3.111 10 70 EGIERO CC[NH+](CC)CCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000160552902 455474044 /nfs/dbraw/zinc/47/40/44/455474044.db2.gz NVUOGKSKLTZRTF-ZDUSSCGKSA-N 1 0 341.293 3.401 10 70 EGIERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(Cl)cc1 ZINC000160947363 455516946 /nfs/dbraw/zinc/51/69/46/455516946.db2.gz XXUQLJQVMZHGAQ-LSBZLQRGSA-N 1 0 348.874 3.072 10 70 EGIERO CC(C)CCn1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000161110537 455534914 /nfs/dbraw/zinc/53/49/14/455534914.db2.gz MQTSJIJLINSFOA-UHFFFAOYSA-N 1 0 335.496 3.171 10 70 EGIERO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161129386 455537381 /nfs/dbraw/zinc/53/73/81/455537381.db2.gz YNAZQZIFCIBODM-TZIWHRDSSA-N 1 0 344.499 3.051 10 70 EGIERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(Br)c1 ZINC000161179271 455544274 /nfs/dbraw/zinc/54/42/74/455544274.db2.gz DAMUHCWWSCYRIT-QWHCGFSZSA-N 1 0 337.261 3.066 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2cc(C)ccc2C)C1 ZINC000161328734 455560089 /nfs/dbraw/zinc/56/00/89/455560089.db2.gz LQFIHGVJSLBWJA-KRWDZBQOSA-N 1 0 328.460 3.173 10 70 EGIERO Cc1ccc(O)c(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1 ZINC000161475980 455573912 /nfs/dbraw/zinc/57/39/12/455573912.db2.gz YDUGLPVMYZGMCI-UHFFFAOYSA-N 1 0 345.418 3.474 10 70 EGIERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000161443116 528264498 /nfs/dbraw/zinc/26/44/98/528264498.db2.gz FPSYJURQGROBCH-CYBMUJFWSA-N 1 0 346.393 3.017 10 70 EGIERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160771153 546949920 /nfs/dbraw/zinc/94/99/20/546949920.db2.gz YPULJQGNFWZQIT-APWZRJJASA-N 1 0 327.428 3.172 10 70 EGIERO C[N@H+](CCNC(=O)CSc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000160654533 546950251 /nfs/dbraw/zinc/95/02/51/546950251.db2.gz RCGDDPPKQGTNJC-UHFFFAOYSA-N 1 0 346.500 3.036 10 70 EGIERO CC(C)OCC[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159790960 140946659 /nfs/dbraw/zinc/94/66/59/140946659.db2.gz ZHZOGNHSKACLLM-UHFFFAOYSA-N 1 0 335.398 3.060 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000160825358 140965753 /nfs/dbraw/zinc/96/57/53/140965753.db2.gz VNALHDYCKQBUAT-CQSZACIVSA-N 1 0 340.431 3.057 10 70 EGIERO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000160383118 307889118 /nfs/dbraw/zinc/88/91/18/307889118.db2.gz IRUBLRRKEGFOMW-QFBILLFUSA-N 1 0 330.472 3.002 10 70 EGIERO CCN(CC1CC[NH+](C[C@@](C)(O)CC)CC1)C(=O)OC(C)(C)C ZINC000161351600 307901914 /nfs/dbraw/zinc/90/19/14/307901914.db2.gz WGBZDHRUFIYFRY-SFHVURJKSA-N 1 0 328.497 3.116 10 70 EGIERO CCC[N@H+](CC)CCNC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000159381337 455373606 /nfs/dbraw/zinc/37/36/06/455373606.db2.gz LHMYKWCZGAQBKU-UHFFFAOYSA-N 1 0 340.471 3.280 10 70 EGIERO CCCCCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159619515 455390325 /nfs/dbraw/zinc/39/03/25/455390325.db2.gz ZNGXPTXMNLFXQD-DOTOQJQBSA-N 1 0 348.487 3.350 10 70 EGIERO Cc1ccccc1CCNC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159792298 455404673 /nfs/dbraw/zinc/40/46/73/455404673.db2.gz YXQUVHWYOKJDPI-UHFFFAOYSA-N 1 0 345.512 3.063 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000160825212 455502896 /nfs/dbraw/zinc/50/28/96/455502896.db2.gz VNALHDYCKQBUAT-AWEZNQCLSA-N 1 0 340.431 3.057 10 70 EGIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159685853 455395620 /nfs/dbraw/zinc/39/56/20/455395620.db2.gz ZDWVIWAKTXFTMD-MRXNPFEDSA-N 1 0 333.476 3.270 10 70 EGIERO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160008243 455422449 /nfs/dbraw/zinc/42/24/49/455422449.db2.gz YQWTXCLPBXAHGD-DOTOQJQBSA-N 1 0 334.410 3.155 10 70 EGIERO O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160008104 455422486 /nfs/dbraw/zinc/42/24/86/455422486.db2.gz YQWTXCLPBXAHGD-WBVHZDCISA-N 1 0 334.410 3.155 10 70 EGIERO COc1ccccc1[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160470330 455463270 /nfs/dbraw/zinc/46/32/70/455463270.db2.gz YAIJWPSVKHNJOJ-IAGOWNOFSA-N 1 0 332.488 3.425 10 70 EGIERO CCSc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000160941939 455515474 /nfs/dbraw/zinc/51/54/74/455515474.db2.gz AAGCKWUQPPIKTG-UHFFFAOYSA-N 1 0 327.453 3.156 10 70 EGIERO C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)C1CCOCC1 ZINC000161139513 455539293 /nfs/dbraw/zinc/53/92/93/455539293.db2.gz WFJPAESWYMMDPU-GOEBONIOSA-N 1 0 338.442 3.334 10 70 EGIERO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CC[NH+]2CCCCC2)C1 ZINC000161147694 455540213 /nfs/dbraw/zinc/54/02/13/455540213.db2.gz GFFQYXFMKGBMTR-SJORKVTESA-N 1 0 342.405 3.299 10 70 EGIERO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161170538 455543120 /nfs/dbraw/zinc/54/31/20/455543120.db2.gz RVZGFHZSMVRMPH-QMTMVMCOSA-N 1 0 334.435 3.088 10 70 EGIERO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000161199896 455547740 /nfs/dbraw/zinc/54/77/40/455547740.db2.gz IHNRCMYWJQVRPN-HOCLYGCPSA-N 1 0 336.426 3.447 10 70 EGIERO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000161416319 455568724 /nfs/dbraw/zinc/56/87/24/455568724.db2.gz RPOBXJPRIKZQNX-INIZCTEOSA-N 1 0 334.423 3.499 10 70 EGIERO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161248863 533784785 /nfs/dbraw/zinc/78/47/85/533784785.db2.gz KGTFBMWCIJXOTL-HOTGVXAUSA-N 1 0 342.405 3.446 10 70 EGIERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000159440580 534886176 /nfs/dbraw/zinc/88/61/76/534886176.db2.gz CNCFFZDFFFCKKA-SFHVURJKSA-N 1 0 340.471 3.188 10 70 EGIERO CCCCOc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000160457009 528689098 /nfs/dbraw/zinc/68/90/98/528689098.db2.gz DDQVASZTUPGXIL-CQSZACIVSA-N 1 0 349.475 3.068 10 70 EGIERO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000161264563 533180776 /nfs/dbraw/zinc/18/07/76/533180776.db2.gz FCJNOYWQLABQGP-MOPGFXCFSA-N 1 0 338.451 3.496 10 70 EGIERO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159479282 225224656 /nfs/dbraw/zinc/22/46/56/225224656.db2.gz WZWLDDNZYRWEIP-CYBMUJFWSA-N 1 0 326.387 3.260 10 70 EGIERO CC(C)c1csc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000160830941 276063568 /nfs/dbraw/zinc/06/35/68/276063568.db2.gz BRWXHFMFUUXSJB-OAHLLOKOSA-N 1 0 346.500 3.369 10 70 EGIERO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000159390555 307873204 /nfs/dbraw/zinc/87/32/04/307873204.db2.gz NOMCTORXHNRWAC-LLVKDONJSA-N 1 0 336.259 3.138 10 70 EGIERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](CCO)c1ccccc1 ZINC000161005590 307897424 /nfs/dbraw/zinc/89/74/24/307897424.db2.gz GNEFSUHQYQURBD-CRAIPNDOSA-N 1 0 327.424 3.450 10 70 EGIERO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000159362680 455372442 /nfs/dbraw/zinc/37/24/42/455372442.db2.gz MKNDCYGKXACHLU-NRFANRHFSA-N 1 0 332.532 3.470 10 70 EGIERO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000159694313 455396869 /nfs/dbraw/zinc/39/68/69/455396869.db2.gz PRHDBMLNAHFBIM-HOTGVXAUSA-N 1 0 336.426 3.497 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000159732331 455399853 /nfs/dbraw/zinc/39/98/53/455399853.db2.gz UZIOOQCCMBEDST-BZUAXINKSA-N 1 0 337.533 3.337 10 70 EGIERO Cc1ccccc1CN(C)C(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159815051 455406521 /nfs/dbraw/zinc/40/65/21/455406521.db2.gz UXKRCPRTNAKPEI-UHFFFAOYSA-N 1 0 345.512 3.363 10 70 EGIERO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCC[NH3+] ZINC000160053224 455425263 /nfs/dbraw/zinc/42/52/63/455425263.db2.gz PDDIDMGNYWSPCC-UHFFFAOYSA-N 1 0 343.374 3.216 10 70 EGIERO COCCc1nsc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000160799702 455499518 /nfs/dbraw/zinc/49/95/18/455499518.db2.gz ZOLUEJQYLLVLNE-GOSISDBHSA-N 1 0 346.500 3.194 10 70 EGIERO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000161101928 455533652 /nfs/dbraw/zinc/53/36/52/455533652.db2.gz UITUQRZOXRPUPK-CYBMUJFWSA-N 1 0 341.293 3.464 10 70 EGIERO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000161302109 455557741 /nfs/dbraw/zinc/55/77/41/455557741.db2.gz OQWUNGJPWNTFQP-CYBMUJFWSA-N 1 0 327.819 3.475 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000161344130 455561014 /nfs/dbraw/zinc/56/10/14/455561014.db2.gz GDFAPBRWGONDCN-CQSZACIVSA-N 1 0 336.386 3.279 10 70 EGIERO Cc1nc2ccccc2c(C)c1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161433514 455570220 /nfs/dbraw/zinc/57/02/20/455570220.db2.gz ZWDNCFCPLIARRD-SJPCQFCGSA-N 1 0 337.467 3.136 10 70 EGIERO C[NH+](C)C[C@H]1CN(c2nc3ccccc3c(-c3ccccc3)n2)CCO1 ZINC000217044680 456031363 /nfs/dbraw/zinc/03/13/63/456031363.db2.gz LJUGLRLZCFEGQJ-KRWDZBQOSA-N 1 0 348.450 3.064 10 70 EGIERO Cc1ccc([C@H]2COCCN2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000159726797 292273671 /nfs/dbraw/zinc/27/36/71/292273671.db2.gz IYYLIRFOLBZULL-GOSISDBHSA-N 1 0 332.419 3.232 10 70 EGIERO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160136153 225345139 /nfs/dbraw/zinc/34/51/39/225345139.db2.gz CLOWWWNUOWJKHJ-DOMZBBRYSA-N 1 0 328.378 3.094 10 70 EGIERO Cc1nc2cc(F)ccc2cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161424512 225625530 /nfs/dbraw/zinc/62/55/30/225625530.db2.gz KXVIMRUJUWUJPX-XYPWUTKMSA-N 1 0 327.403 3.037 10 70 EGIERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1ccccc1)CCCO2 ZINC000161422808 225625921 /nfs/dbraw/zinc/62/59/21/225625921.db2.gz FSYSZBPULQVGCS-APWZRJJASA-N 1 0 327.424 3.275 10 70 EGIERO C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176204 266194699 /nfs/dbraw/zinc/19/46/99/266194699.db2.gz PDEIMXFCTPGXTG-QWHCGFSZSA-N 1 0 325.478 3.268 10 70 EGIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160775768 275195962 /nfs/dbraw/zinc/19/59/62/275195962.db2.gz DYVYBHQQNJZBAA-SFHVURJKSA-N 1 0 329.488 3.135 10 70 EGIERO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000160948124 279490750 /nfs/dbraw/zinc/49/07/50/279490750.db2.gz AQBGELSIYANKNW-JYJNAYRXSA-N 1 0 332.488 3.460 10 70 EGIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(F)cc1F ZINC000159995112 307883388 /nfs/dbraw/zinc/88/33/88/307883388.db2.gz TXYLBXJYWRNWGD-GOSISDBHSA-N 1 0 346.421 3.187 10 70 EGIERO O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159651676 455392417 /nfs/dbraw/zinc/39/24/17/455392417.db2.gz RFLKQLQPFLOXNP-HSALFYBXSA-N 1 0 341.499 3.450 10 70 EGIERO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159870146 455411576 /nfs/dbraw/zinc/41/15/76/455411576.db2.gz ZHIKMCRYVKNVQL-UHFFFAOYSA-N 1 0 346.858 3.106 10 70 EGIERO Clc1ccc(C2=NO[C@@H](CN3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000159754938 455400721 /nfs/dbraw/zinc/40/07/21/455400721.db2.gz PKTCPVKCFYMWAZ-GOSISDBHSA-N 1 0 347.890 3.393 10 70 EGIERO CC(C)[C@H](O)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000160048389 455424104 /nfs/dbraw/zinc/42/41/04/455424104.db2.gz WXFQBIUVMCNGJG-FUHWJXTLSA-N 1 0 332.488 3.173 10 70 EGIERO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(-n2cncn2)cc1 ZINC000160095868 455428587 /nfs/dbraw/zinc/42/85/87/455428587.db2.gz NMXUJGYXJSKFCF-CYBMUJFWSA-N 1 0 344.365 3.275 10 70 EGIERO CCOCCOc1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159691749 455396824 /nfs/dbraw/zinc/39/68/24/455396824.db2.gz FVGROOTYGIPAPO-UHFFFAOYSA-N 1 0 348.487 3.144 10 70 EGIERO CC[N@@H+]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000159865373 455410371 /nfs/dbraw/zinc/41/03/71/455410371.db2.gz LFWXTCFHGWCRSI-UHFFFAOYSA-N 1 0 344.484 3.047 10 70 EGIERO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160304138 455446873 /nfs/dbraw/zinc/44/68/73/455446873.db2.gz MVVQNLYNWFMPNC-QZTJIDSGSA-N 1 0 336.520 3.020 10 70 EGIERO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H]1COc2ccccc21 ZINC000160372505 455451846 /nfs/dbraw/zinc/45/18/46/455451846.db2.gz IYWBBZLGULDUAH-QAPCUYQASA-N 1 0 345.487 3.115 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000160486101 455465411 /nfs/dbraw/zinc/46/54/11/455465411.db2.gz NRZZHAJYPBZYED-UHFFFAOYSA-N 1 0 341.459 3.114 10 70 EGIERO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000160545558 455472879 /nfs/dbraw/zinc/47/28/79/455472879.db2.gz IACUEPYIACOCBE-IARIHHJXSA-N 1 0 336.426 3.305 10 70 EGIERO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000160558879 455473732 /nfs/dbraw/zinc/47/37/32/455473732.db2.gz ALHKZZCAMZSFOP-QGZVFWFLSA-N 1 0 344.499 3.351 10 70 EGIERO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000160890165 455509441 /nfs/dbraw/zinc/50/94/41/455509441.db2.gz KALLMTKDESBMFN-KRWDZBQOSA-N 1 0 338.455 3.374 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000161191233 455547033 /nfs/dbraw/zinc/54/70/33/455547033.db2.gz MAACIABQNXLXMZ-WBMJQRKESA-N 1 0 346.862 3.189 10 70 EGIERO CCC[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[NH+](C)C ZINC000161359076 455562737 /nfs/dbraw/zinc/56/27/37/455562737.db2.gz JRVHVJWFSQQDEF-OAHLLOKOSA-N 1 0 346.393 3.112 10 70 EGIERO Cc1ccn(-c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000161418254 455569156 /nfs/dbraw/zinc/56/91/56/455569156.db2.gz DUJFHMRFAQAJES-UHFFFAOYSA-N 1 0 334.423 3.495 10 70 EGIERO C[C@H]([NH2+]CCCN1CCCC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000159525790 533846459 /nfs/dbraw/zinc/84/64/59/533846459.db2.gz AXWLFUWVUODVGA-KBPBESRZSA-N 1 0 331.485 3.390 10 70 EGIERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160129408 534230769 /nfs/dbraw/zinc/23/07/69/534230769.db2.gz ZDUWSNWUSWKVIP-WFASDCNBSA-N 1 0 328.378 3.094 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCC1CCCCC1 ZINC000159769203 546941628 /nfs/dbraw/zinc/94/16/28/546941628.db2.gz UJTNBSAHGGJUOU-UHFFFAOYSA-N 1 0 337.533 3.483 10 70 EGIERO CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1c(C)noc1C ZINC000161351971 546954698 /nfs/dbraw/zinc/95/46/98/546954698.db2.gz KDRNSOUYMVQKFG-IRXDYDNUSA-N 1 0 344.459 3.345 10 70 EGIERO CC[NH+]1CCC(CCNC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159803586 206264007 /nfs/dbraw/zinc/26/40/07/206264007.db2.gz IREVZFPUMPFVIX-UHFFFAOYSA-N 1 0 333.451 3.015 10 70 EGIERO C[C@H](CC(=O)NC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000160691967 206308485 /nfs/dbraw/zinc/30/84/85/206308485.db2.gz RUPWWPMCACSRIN-GFCCVEGCSA-N 1 0 339.277 3.153 10 70 EGIERO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160942535 206319629 /nfs/dbraw/zinc/31/96/29/206319629.db2.gz FCHLTYRKLNTXNQ-PMACEKPBSA-N 1 0 341.499 3.379 10 70 EGIERO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161022622 206324231 /nfs/dbraw/zinc/32/42/31/206324231.db2.gz JTQDIKQNSCCFTD-TZIWHRDSSA-N 1 0 344.499 3.199 10 70 EGIERO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000160537363 264879004 /nfs/dbraw/zinc/87/90/04/264879004.db2.gz ANUNOJAAZPLFPH-KGLIPLIRSA-N 1 0 339.277 3.186 10 70 EGIERO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000159451246 307873964 /nfs/dbraw/zinc/87/39/64/307873964.db2.gz FKYLYQZGOZVODF-RTBURBONSA-N 1 0 345.487 3.039 10 70 EGIERO CCC(CC)(CNC(=O)C[C@@H](O)C(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000160049307 307883795 /nfs/dbraw/zinc/88/37/95/307883795.db2.gz QXGLCPQHJDMWAR-SJLPKXTDSA-N 1 0 334.504 3.419 10 70 EGIERO CC[NH+](CC)CCNC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000161118884 307898766 /nfs/dbraw/zinc/89/87/66/307898766.db2.gz ANQWJEQRCXMQAV-GOSISDBHSA-N 1 0 346.519 3.468 10 70 EGIERO CCc1oc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1C ZINC000159646321 455392844 /nfs/dbraw/zinc/39/28/44/455392844.db2.gz ADLBXHIDGUOSNB-INIZCTEOSA-N 1 0 330.428 3.192 10 70 EGIERO CCn1cc(CN2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)cn1 ZINC000160344755 455449512 /nfs/dbraw/zinc/44/95/12/455449512.db2.gz XGIRLSRHAJVFRN-UHFFFAOYSA-N 1 0 346.519 3.154 10 70 EGIERO Cc1cccc2c(CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)c[nH]c21 ZINC000160577898 455476996 /nfs/dbraw/zinc/47/69/96/455476996.db2.gz DYQIHLUAPZQRGT-INIZCTEOSA-N 1 0 327.472 3.400 10 70 EGIERO CC(C)c1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)s1 ZINC000159489600 455380370 /nfs/dbraw/zinc/38/03/70/455380370.db2.gz PBGWKLHOVRVGHA-OAHLLOKOSA-N 1 0 331.485 3.169 10 70 EGIERO Cc1ccc(C(=O)CC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000159635955 455391773 /nfs/dbraw/zinc/39/17/73/455391773.db2.gz ZYBAMSDFUDTWJM-UHFFFAOYSA-N 1 0 348.450 3.490 10 70 EGIERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCC(C)C)n2)[C@H](C)C1 ZINC000159897789 455413398 /nfs/dbraw/zinc/41/33/98/455413398.db2.gz RHRHRXCNTTWMKL-HZPDHXFCSA-N 1 0 335.496 3.123 10 70 EGIERO C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000160061032 455425209 /nfs/dbraw/zinc/42/52/09/455425209.db2.gz MLTYVVQVDCSHBJ-AEFFLSMTSA-N 1 0 347.503 3.362 10 70 EGIERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160065424 455425312 /nfs/dbraw/zinc/42/53/12/455425312.db2.gz SNSOVEHIYGBZEA-VHRBIJSZSA-N 1 0 325.250 3.001 10 70 EGIERO c1nc2ccccn2c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000160440773 455458796 /nfs/dbraw/zinc/45/87/96/455458796.db2.gz MVLRCOPHHQCZBZ-GOSISDBHSA-N 1 0 326.488 3.422 10 70 EGIERO CCn1cc(C2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)cn1 ZINC000160470151 455463561 /nfs/dbraw/zinc/46/35/61/455463561.db2.gz GIBJHHFEQXPHOB-GOSISDBHSA-N 1 0 335.398 3.094 10 70 EGIERO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000160532384 455470890 /nfs/dbraw/zinc/47/08/90/455470890.db2.gz IJTMEFZJSAWGKY-UHFFFAOYSA-N 1 0 347.507 3.268 10 70 EGIERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160593462 455477968 /nfs/dbraw/zinc/47/79/68/455477968.db2.gz DBSKXUNBVUKGNQ-QGZVFWFLSA-N 1 0 340.467 3.378 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000161271027 455554691 /nfs/dbraw/zinc/55/46/91/455554691.db2.gz VCSFDQJSDZDJMA-OAHLLOKOSA-N 1 0 339.418 3.365 10 70 EGIERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(SC)cc1 ZINC000217184896 456030877 /nfs/dbraw/zinc/03/08/77/456030877.db2.gz PYVFNULGFKCJPZ-MRXNPFEDSA-N 1 0 335.517 3.472 10 70 EGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1Br ZINC000159498473 296122911 /nfs/dbraw/zinc/12/29/11/296122911.db2.gz MHVZJYPUVPZBMR-LLVKDONJSA-N 1 0 343.240 3.251 10 70 EGIERO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)CCc1nccs1 ZINC000159363110 206240985 /nfs/dbraw/zinc/24/09/85/206240985.db2.gz XWGLSRZBDQURHV-UHFFFAOYSA-N 1 0 333.457 3.045 10 70 EGIERO C[NH+](C)C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000160545825 206303231 /nfs/dbraw/zinc/30/32/31/206303231.db2.gz GPDYVNOSWGAFLK-GDBMZVCRSA-N 1 0 345.468 3.027 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccnc2SC(F)(F)F)[C@@H](C)C1 ZINC000161170645 206333329 /nfs/dbraw/zinc/33/33/29/206333329.db2.gz WFEUIQQFTULWHL-JQWIXIFHSA-N 1 0 347.406 3.152 10 70 EGIERO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(C)=O ZINC000161102417 286370076 /nfs/dbraw/zinc/37/00/76/286370076.db2.gz JUIPHNCIBAIPAG-XKQJLSEDSA-N 1 0 333.476 3.177 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000160098753 264869810 /nfs/dbraw/zinc/86/98/10/264869810.db2.gz IVEWQADVVAWKQY-UHFFFAOYSA-N 1 0 329.366 3.346 10 70 EGIERO CCOCc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000160686773 264882630 /nfs/dbraw/zinc/88/26/30/264882630.db2.gz BQHZLZSLRMVGIP-UHFFFAOYSA-N 1 0 333.476 3.465 10 70 EGIERO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161248761 280806221 /nfs/dbraw/zinc/80/62/21/280806221.db2.gz KGTFBMWCIJXOTL-CVEARBPZSA-N 1 0 342.405 3.446 10 70 EGIERO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(-c2ccncc2)n1 ZINC000160445132 301338474 /nfs/dbraw/zinc/33/84/74/301338474.db2.gz RWIPDRDRGWHHSO-SFHVURJKSA-N 1 0 337.471 3.302 10 70 EGIERO CCOC(=O)CCCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159463793 307874241 /nfs/dbraw/zinc/87/42/41/307874241.db2.gz YHJBVRFFTVRHAB-MRXNPFEDSA-N 1 0 336.451 3.238 10 70 EGIERO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442947 307902834 /nfs/dbraw/zinc/90/28/34/307902834.db2.gz RRGWQQFBVVNZQJ-PBHICJAKSA-N 1 0 338.451 3.343 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000159511916 455381684 /nfs/dbraw/zinc/38/16/84/455381684.db2.gz XNPMOVYDNMUJOW-RTBURBONSA-N 1 0 346.519 3.241 10 70 EGIERO CSCc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000159808463 455406239 /nfs/dbraw/zinc/40/62/39/455406239.db2.gz IWDAGFXMFHIVGU-UHFFFAOYSA-N 1 0 336.476 3.293 10 70 EGIERO Fc1cc(F)c2nccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000159440267 455377477 /nfs/dbraw/zinc/37/74/77/455377477.db2.gz NYGMJKAAROHFKD-CQSZACIVSA-N 1 0 347.409 3.062 10 70 EGIERO COc1cccc(CCC[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000159481972 455379162 /nfs/dbraw/zinc/37/91/62/455379162.db2.gz SEDPLBZIAVRFTI-HXUWFJFHSA-N 1 0 338.451 3.191 10 70 EGIERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000159535972 455383067 /nfs/dbraw/zinc/38/30/67/455383067.db2.gz NIIMZDMFDJKZJI-ZDUSSCGKSA-N 1 0 342.405 3.437 10 70 EGIERO Fc1cc(F)c2nccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000159554728 455385338 /nfs/dbraw/zinc/38/53/38/455385338.db2.gz OAQNUYNSZOJTCH-CYBMUJFWSA-N 1 0 347.409 3.426 10 70 EGIERO C[NH+](C)Cc1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1 ZINC000160111771 455429210 /nfs/dbraw/zinc/42/92/10/455429210.db2.gz BQMVBOPLUNPYCM-UHFFFAOYSA-N 1 0 349.434 3.161 10 70 EGIERO CCN(C(=O)NCCCCSC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160302431 455446733 /nfs/dbraw/zinc/44/67/33/455446733.db2.gz BKJCZRUSNAKXML-SFHVURJKSA-N 1 0 349.544 3.436 10 70 EGIERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(Cl)cc31)CC2 ZINC000160320507 455447172 /nfs/dbraw/zinc/44/71/72/455447172.db2.gz VQCZHMKTSQCHHN-UKRRQHHQSA-N 1 0 332.835 3.058 10 70 EGIERO Cc1ccc2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1 ZINC000160404264 455454841 /nfs/dbraw/zinc/45/48/41/455454841.db2.gz LEWVTICBFHRGSP-IYBDPMFKSA-N 1 0 335.451 3.387 10 70 EGIERO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161479627 455573616 /nfs/dbraw/zinc/57/36/16/455573616.db2.gz RQHJYVYCEJAVGY-XNHLSEOASA-N 1 0 342.483 3.247 10 70 EGIERO CC[C@@H](O)c1cc2n(n1)CCN(c1cc(C)[nH+]c3ccc(F)cc31)C2 ZINC000217039160 241233776 /nfs/dbraw/zinc/23/37/76/241233776.db2.gz KDYNTYISJDNVPI-LJQANCHMSA-N 1 0 340.402 3.342 10 70 EGIERO O=C(CCCc1ncc(-c2ccccc2)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159631887 140942432 /nfs/dbraw/zinc/94/24/32/140942432.db2.gz LMVOZNGRFNLZPT-CALCHBBNSA-N 1 0 339.439 3.017 10 70 EGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607318 455389516 /nfs/dbraw/zinc/38/95/16/455389516.db2.gz LOZJTDWVVTZSMN-RDJZCZTQSA-N 1 0 348.450 3.111 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000159829702 455408028 /nfs/dbraw/zinc/40/80/28/455408028.db2.gz ZATRZMSECINFBI-CQSZACIVSA-N 1 0 335.517 3.186 10 70 EGIERO CC(C)[C@@H](O)CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000160048542 455423817 /nfs/dbraw/zinc/42/38/17/455423817.db2.gz WXFQBIUVMCNGJG-WMZOPIPTSA-N 1 0 332.488 3.173 10 70 EGIERO COc1cccc(SCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160380784 455453074 /nfs/dbraw/zinc/45/30/74/455453074.db2.gz ANBMLTZUGSPLIG-OAHLLOKOSA-N 1 0 336.501 3.024 10 70 EGIERO Cc1cnn([C@H]2CCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)c1 ZINC000159467825 455379581 /nfs/dbraw/zinc/37/95/81/455379581.db2.gz BJCZQTJAXIDKOS-SFHVURJKSA-N 1 0 346.519 3.113 10 70 EGIERO Cc1ccccc1CNC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159733700 455399192 /nfs/dbraw/zinc/39/91/92/455399192.db2.gz HAQWSUBCJSRBJD-UHFFFAOYSA-N 1 0 331.485 3.021 10 70 EGIERO CCN(CC)C(=O)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000159804667 455406008 /nfs/dbraw/zinc/40/60/08/455406008.db2.gz GCYQJFWZCBRKAI-UHFFFAOYSA-N 1 0 332.488 3.208 10 70 EGIERO Cc1cccc2c1ncnc2N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160471145 455463350 /nfs/dbraw/zinc/46/33/50/455463350.db2.gz CFLQNORCQCYLSF-IXDOHACOSA-N 1 0 340.471 3.016 10 70 EGIERO Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c2)cs1 ZINC000160597265 455478095 /nfs/dbraw/zinc/47/80/95/455478095.db2.gz JKWZERMSUWEFPD-OAHLLOKOSA-N 1 0 346.500 3.297 10 70 EGIERO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160630952 455481902 /nfs/dbraw/zinc/48/19/02/455481902.db2.gz FBYQCDSQVSQYPL-SQGPQFPESA-N 1 0 330.472 3.257 10 70 EGIERO CCC[C@H](C(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000161214017 455548322 /nfs/dbraw/zinc/54/83/22/455548322.db2.gz FAYHJVQUZKDXLQ-CQSZACIVSA-N 1 0 327.266 3.138 10 70 EGIERO CCC[C@@H](C(=O)N(C)Cc1ccc(Br)s1)[NH+](C)C ZINC000161261087 455553979 /nfs/dbraw/zinc/55/39/79/455553979.db2.gz ZHIMWALUIZNFPF-NSHDSACASA-N 1 0 333.295 3.199 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000161272479 455555021 /nfs/dbraw/zinc/55/50/21/455555021.db2.gz JZQYEAJNPDDPOR-AWEZNQCLSA-N 1 0 336.386 3.279 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000161342974 455560861 /nfs/dbraw/zinc/56/08/61/455560861.db2.gz KUIALRJEJPBNEG-QGZVFWFLSA-N 1 0 328.460 3.255 10 70 EGIERO Cc1cccc(OCCCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161409466 455567549 /nfs/dbraw/zinc/56/75/49/455567549.db2.gz GWIUDBDHXCFRDD-JWTNVVGKSA-N 1 0 330.472 3.286 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000161201233 206334346 /nfs/dbraw/zinc/33/43/46/206334346.db2.gz PFUJHWDXUZJWCI-GDBMZVCRSA-N 1 0 342.487 3.302 10 70 EGIERO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000161479187 206352028 /nfs/dbraw/zinc/35/20/28/206352028.db2.gz XDSNYRHOOIXSBN-MAUKXSAKSA-N 1 0 327.424 3.275 10 70 EGIERO CCC[C@H](C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)[NH+](C)C ZINC000161509075 206353460 /nfs/dbraw/zinc/35/34/60/206353460.db2.gz RBLBDJHWIUOTTP-QGZVFWFLSA-N 1 0 340.427 3.003 10 70 EGIERO C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176130 266194284 /nfs/dbraw/zinc/19/42/84/266194284.db2.gz PDEIMXFCTPGXTG-CHWSQXEVSA-N 1 0 325.478 3.268 10 70 EGIERO Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159393907 455373945 /nfs/dbraw/zinc/37/39/45/455373945.db2.gz JCJJNAXKJXVENE-IYBDPMFKSA-N 1 0 341.480 3.009 10 70 EGIERO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159815485 455407258 /nfs/dbraw/zinc/40/72/58/455407258.db2.gz XALSHEFZIYZUCJ-KRWDZBQOSA-N 1 0 348.512 3.453 10 70 EGIERO Cc1cc(NC(=O)C[N@@H+]2CCCC2(C)C)n(-c2ccccc2F)n1 ZINC000160467288 455462794 /nfs/dbraw/zinc/46/27/94/455462794.db2.gz HYNPFXBDOQSBCQ-UHFFFAOYSA-N 1 0 330.407 3.133 10 70 EGIERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1OC(C)C ZINC000160603522 455479316 /nfs/dbraw/zinc/47/93/16/455479316.db2.gz NFRJAIQXXFDCQK-QGZVFWFLSA-N 1 0 348.487 3.333 10 70 EGIERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160809774 455501162 /nfs/dbraw/zinc/50/11/62/455501162.db2.gz BSNUWPHRIDQWAE-CABCVRRESA-N 1 0 328.460 3.216 10 70 EGIERO CCC(C)(CC)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161197547 455546394 /nfs/dbraw/zinc/54/63/94/455546394.db2.gz HZZNDBQLNXDJGW-HNNXBMFYSA-N 1 0 332.492 3.485 10 70 EGIERO Cc1cc(O[C@@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000161473458 455573959 /nfs/dbraw/zinc/57/39/59/455573959.db2.gz CDJAUMWUZPPJMT-RDGKXADDSA-N 1 0 336.863 3.157 10 70 EGIERO C[NH+](C)C[C@@H]1CN(c2nc3ccccc3c(-c3ccccc3)n2)CCO1 ZINC000217044644 456031595 /nfs/dbraw/zinc/03/15/95/456031595.db2.gz LJUGLRLZCFEGQJ-QGZVFWFLSA-N 1 0 348.450 3.064 10 70 EGIERO CC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1c(C)noc1C ZINC000160714321 546949883 /nfs/dbraw/zinc/94/98/83/546949883.db2.gz XLCGJDBIDJQBJC-IRXDYDNUSA-N 1 0 329.444 3.032 10 70 EGIERO O=C1CCCN1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159585737 206253340 /nfs/dbraw/zinc/25/33/40/206253340.db2.gz KWYUFCAJKQYTEG-OAHLLOKOSA-N 1 0 342.361 3.175 10 70 EGIERO Clc1ccc(C2=NO[C@H](C[N@H+](C[C@@H]3CCOC3)C3CC3)C2)cc1 ZINC000159745121 206260456 /nfs/dbraw/zinc/26/04/56/206260456.db2.gz UBHBPYNCTVPXPW-GUYCJALGSA-N 1 0 334.847 3.334 10 70 EGIERO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000160127714 206280387 /nfs/dbraw/zinc/28/03/87/206280387.db2.gz WXRSHGZQJIEGSE-DOMZBBRYSA-N 1 0 328.378 3.409 10 70 EGIERO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161049532 206325603 /nfs/dbraw/zinc/32/56/03/206325603.db2.gz RUSPQZLKMLDKMW-IDHHARJASA-N 1 0 327.428 3.425 10 70 EGIERO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000161437630 206348034 /nfs/dbraw/zinc/34/80/34/206348034.db2.gz FORLYHRQHFBCQD-MAUKXSAKSA-N 1 0 340.423 3.070 10 70 EGIERO C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176269 266194756 /nfs/dbraw/zinc/19/47/56/266194756.db2.gz PDEIMXFCTPGXTG-OLZOCXBDSA-N 1 0 325.478 3.268 10 70 EGIERO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224742 278385887 /nfs/dbraw/zinc/38/58/87/278385887.db2.gz SZAMMEZPRODHGJ-YGRLFVJLSA-N 1 0 336.233 3.357 10 70 EGIERO CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000159669626 307877577 /nfs/dbraw/zinc/87/75/77/307877577.db2.gz ZWWCEMLZONYIHZ-AWEZNQCLSA-N 1 0 340.537 3.082 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H](C)c1cccs1 ZINC000159760047 455401749 /nfs/dbraw/zinc/40/17/49/455401749.db2.gz OLPPBOHNBJYDBB-ZDUSSCGKSA-N 1 0 337.514 3.335 10 70 EGIERO O=C(c1ccc(Br)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160032196 455422816 /nfs/dbraw/zinc/42/28/16/455422816.db2.gz QTURZAQRPSHQJN-PHIMTYICSA-N 1 0 343.652 3.069 10 70 EGIERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160381566 455452648 /nfs/dbraw/zinc/45/26/48/455452648.db2.gz VKSYKLHWANYLFA-CAMMJAKZSA-N 1 0 330.447 3.137 10 70 EGIERO COc1cccc(Cl)c1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160507874 455467430 /nfs/dbraw/zinc/46/74/30/455467430.db2.gz DCICZYDIEMNVHP-UHFFFAOYSA-N 1 0 338.879 3.224 10 70 EGIERO CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000160772202 455497053 /nfs/dbraw/zinc/49/70/53/455497053.db2.gz VTSLXZPGESYCCL-KBPBESRZSA-N 1 0 343.475 3.135 10 70 EGIERO CCCCC[N@H+](CCO)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159641959 455391256 /nfs/dbraw/zinc/39/12/56/455391256.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 1 0 340.265 3.310 10 70 EGIERO O=C(c1ccc(COc2ccccc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160107262 455429742 /nfs/dbraw/zinc/42/97/42/455429742.db2.gz RKSCSJOOMJRXHW-KDURUIRLSA-N 1 0 336.435 3.232 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1Br ZINC000160479653 455465099 /nfs/dbraw/zinc/46/50/99/455465099.db2.gz IFOBCQNFUJMUDG-LLVKDONJSA-N 1 0 345.306 3.361 10 70 EGIERO COc1ccc(OC)c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000160764041 455495834 /nfs/dbraw/zinc/49/58/34/455495834.db2.gz STZIIMUMHSGQBB-CYBMUJFWSA-N 1 0 333.432 3.494 10 70 EGIERO CCCCn1ncc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1C ZINC000161231629 455550509 /nfs/dbraw/zinc/55/05/09/455550509.db2.gz AXZFSWFIECUMDU-UHFFFAOYSA-N 1 0 335.496 3.234 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000161426180 455569767 /nfs/dbraw/zinc/56/97/67/455569767.db2.gz HQWVPEGFPCFOLP-QGZVFWFLSA-N 1 0 328.460 3.173 10 70 EGIERO Fc1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCCOC3)C2)c(Cl)c1 ZINC000161153289 546953100 /nfs/dbraw/zinc/95/31/00/546953100.db2.gz QKXDPYZHAZWVBW-JKSUJKDBSA-N 1 0 326.843 3.212 10 70 EGIERO CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1c(C)noc1C ZINC000161352103 546954553 /nfs/dbraw/zinc/95/45/53/546954553.db2.gz KDRNSOUYMVQKFG-SJORKVTESA-N 1 0 344.459 3.345 10 70 EGIERO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC000217159182 241239365 /nfs/dbraw/zinc/23/93/65/241239365.db2.gz KULDHTMGCYYQNH-HXUWFJFHSA-N 1 0 338.455 3.256 10 70 EGIERO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000159451653 206247463 /nfs/dbraw/zinc/24/74/63/206247463.db2.gz QJKPTBBDRYAWOA-UHFFFAOYSA-N 1 0 330.432 3.474 10 70 EGIERO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000160007332 206274364 /nfs/dbraw/zinc/27/43/64/206274364.db2.gz HNLBKUMVQWUGNY-KRWDZBQOSA-N 1 0 342.443 3.071 10 70 EGIERO CCC[C@@H](C(=O)Nc1ccc(Sc2nccn2C)cc1)[NH+](C)C ZINC000161418168 206347921 /nfs/dbraw/zinc/34/79/21/206347921.db2.gz HYRZWYBOTOOPPU-HNNXBMFYSA-N 1 0 332.473 3.240 10 70 EGIERO OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000161458843 206349149 /nfs/dbraw/zinc/34/91/49/206349149.db2.gz OQNKOQQLBGUYAT-OAQYLSRUSA-N 1 0 338.495 3.059 10 70 EGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702341 140944805 /nfs/dbraw/zinc/94/48/05/140944805.db2.gz VFUAYBYFAGAYMN-ONGXEEELSA-N 1 0 332.778 3.027 10 70 EGIERO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc(-n2cncn2)cc1 ZINC000160095748 140952357 /nfs/dbraw/zinc/95/23/57/140952357.db2.gz NMXUJGYXJSKFCF-ZDUSSCGKSA-N 1 0 344.365 3.275 10 70 EGIERO C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000159957188 307882816 /nfs/dbraw/zinc/88/28/16/307882816.db2.gz DESUSDIUETZZEF-DLBZAZTESA-N 1 0 329.488 3.470 10 70 EGIERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161506091 307903514 /nfs/dbraw/zinc/90/35/14/307903514.db2.gz JWBDOTIDBBWUKS-FZMZJTMJSA-N 1 0 332.366 3.493 10 70 EGIERO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159611471 455389209 /nfs/dbraw/zinc/38/92/09/455389209.db2.gz YPHCJYGTOTZFHA-QAPCUYQASA-N 1 0 338.451 3.448 10 70 EGIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160386156 455454356 /nfs/dbraw/zinc/45/43/56/455454356.db2.gz VMFSKCYSTOIYTK-ZYHUDNBSSA-N 1 0 330.325 3.153 10 70 EGIERO O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159651817 455392310 /nfs/dbraw/zinc/39/23/10/455392310.db2.gz RFLKQLQPFLOXNP-UFYCRDLUSA-N 1 0 341.499 3.450 10 70 EGIERO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159950857 455418363 /nfs/dbraw/zinc/41/83/63/455418363.db2.gz HXRGAWHLRJHSEX-HOTGVXAUSA-N 1 0 349.438 3.254 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(OC(F)F)cc1 ZINC000160568738 455475366 /nfs/dbraw/zinc/47/53/66/455475366.db2.gz UZYDRLRMEGKADQ-OAHLLOKOSA-N 1 0 340.414 3.067 10 70 EGIERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1Cl ZINC000160575519 455475660 /nfs/dbraw/zinc/47/56/60/455475660.db2.gz QOKNKLZVELBRIC-AHIWAGSCSA-N 1 0 334.851 3.122 10 70 EGIERO COCCc1nsc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000160799821 455499562 /nfs/dbraw/zinc/49/95/62/455499562.db2.gz ZOLUEJQYLLVLNE-SFHVURJKSA-N 1 0 346.500 3.194 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000161332951 455559738 /nfs/dbraw/zinc/55/97/38/455559738.db2.gz XSSZTRGMNBGZID-MRXNPFEDSA-N 1 0 337.427 3.333 10 70 EGIERO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@](C)(O)CC ZINC000160461104 206298391 /nfs/dbraw/zinc/29/83/91/206298391.db2.gz AYDIYMFRDQBHGU-HNNXBMFYSA-N 1 0 332.366 3.127 10 70 EGIERO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1OC(F)F ZINC000160504034 206299918 /nfs/dbraw/zinc/29/99/18/206299918.db2.gz SRXKJOSXXUTTBB-UBHSHLNASA-N 1 0 329.387 3.498 10 70 EGIERO CCC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)[NH+](C)C ZINC000160608167 206306410 /nfs/dbraw/zinc/30/64/10/206306410.db2.gz QZUGKHFQHLIJIG-GOSISDBHSA-N 1 0 333.476 3.112 10 70 EGIERO COCCOc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000161463008 206350182 /nfs/dbraw/zinc/35/01/82/206350182.db2.gz KRBDIXGOIDBMRI-QFBILLFUSA-N 1 0 329.440 3.139 10 70 EGIERO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160625127 152765402 /nfs/dbraw/zinc/76/54/02/152765402.db2.gz NUTJPVQPSIIHMW-KRWDZBQOSA-N 1 0 343.471 3.152 10 70 EGIERO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160387465 455453669 /nfs/dbraw/zinc/45/36/69/455453669.db2.gz FKXBMYQKMGKDMY-XLIONFOSSA-N 1 0 346.515 3.267 10 70 EGIERO Fc1cc(F)c2nccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000159440406 455377484 /nfs/dbraw/zinc/37/74/84/455377484.db2.gz NYGMJKAAROHFKD-AWEZNQCLSA-N 1 0 347.409 3.062 10 70 EGIERO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC([NH+]2CCCC2)CC1 ZINC000160594515 455478334 /nfs/dbraw/zinc/47/83/34/455478334.db2.gz SHYJMVNHJVIBAB-INIZCTEOSA-N 1 0 340.471 3.282 10 70 EGIERO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000160744957 455493962 /nfs/dbraw/zinc/49/39/62/455493962.db2.gz YNYNXKZCYMDGHR-MRXNPFEDSA-N 1 0 343.423 3.204 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC[S@@](=O)c1ccccc1 ZINC000160783912 455497707 /nfs/dbraw/zinc/49/77/07/455497707.db2.gz QITBPTWMQBEISX-FATZIPQQSA-N 1 0 333.501 3.405 10 70 EGIERO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000160809928 455500688 /nfs/dbraw/zinc/50/06/88/455500688.db2.gz IQNKAAMGXALRKD-UHFFFAOYSA-N 1 0 346.858 3.439 10 70 EGIERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000161123271 455537451 /nfs/dbraw/zinc/53/74/51/455537451.db2.gz NGZIMGQAFPOARJ-GDBMZVCRSA-N 1 0 348.441 3.496 10 70 EGIERO C[NH2+]CCC1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161499432 455575347 /nfs/dbraw/zinc/57/53/47/455575347.db2.gz GESNJIRUNGQXKW-UHFFFAOYSA-N 1 0 329.257 3.410 10 70 EGIERO Fc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000217827670 456033575 /nfs/dbraw/zinc/03/35/75/456033575.db2.gz ROQIJIQZTGGXLN-GJZGRUSLSA-N 1 0 327.241 3.305 10 70 EGIERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000159884099 546941845 /nfs/dbraw/zinc/94/18/45/546941845.db2.gz WNVLUTSIAUUXHN-NWDGAFQWSA-N 1 0 340.514 3.201 10 70 EGIERO C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2ccco2)C1 ZINC000161492590 546955808 /nfs/dbraw/zinc/95/58/08/546955808.db2.gz MTVNSCFTRJHZKD-ZBFHGGJFSA-N 1 0 345.447 3.043 10 70 EGIERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cscn1 ZINC000218260436 299378849 /nfs/dbraw/zinc/37/88/49/299378849.db2.gz LVCMPSGQKKJSHK-YNEHKIRRSA-N 1 0 325.478 3.487 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC000160806577 140965970 /nfs/dbraw/zinc/96/59/70/140965970.db2.gz HQFDZCDJAWLPIV-ZLOXQWCVSA-N 1 0 335.473 3.214 10 70 EGIERO COc1cccc(Cl)c1CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000161072115 140966935 /nfs/dbraw/zinc/96/69/35/140966935.db2.gz YQEFTIDHVJHIAV-UHFFFAOYSA-N 1 0 338.879 3.129 10 70 EGIERO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160760389 279081169 /nfs/dbraw/zinc/08/11/69/279081169.db2.gz ITLKUZOQFWDAMM-SVFBPWRDSA-N 1 0 344.499 3.223 10 70 EGIERO Cc1c(F)cccc1-c1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159546792 455384626 /nfs/dbraw/zinc/38/46/26/455384626.db2.gz CVAUFNQTIRXRAH-JSGCOSHPSA-N 1 0 330.403 3.480 10 70 EGIERO Cc1cc(F)ccc1-c1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159592976 455387157 /nfs/dbraw/zinc/38/71/57/455387157.db2.gz RSFBKQCDFNRNNC-UONOGXRCSA-N 1 0 330.403 3.480 10 70 EGIERO Cc1ccccc1OC[C@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159785333 455403643 /nfs/dbraw/zinc/40/36/43/455403643.db2.gz OZFYTCNCEFZJAF-MRXNPFEDSA-N 1 0 334.485 3.144 10 70 EGIERO O=C(NC[C@H]1C[C@@H]1c1ccccc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159790116 455403772 /nfs/dbraw/zinc/40/37/72/455403772.db2.gz QZCGKUIULLKRKU-UYAOXDASSA-N 1 0 334.463 3.228 10 70 EGIERO CCc1ccc([C@@H](CNC(=O)[C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000160376883 455452402 /nfs/dbraw/zinc/45/24/02/455452402.db2.gz IJHZWNVFPJDBNI-HNAYVOBHSA-N 1 0 332.488 3.031 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC000160806205 455501300 /nfs/dbraw/zinc/50/13/00/455501300.db2.gz HQFDZCDJAWLPIV-ZAMGYDSWSA-N 1 0 335.473 3.214 10 70 EGIERO CC(C)[N@H+](CCC(=O)N1CCc2ccccc21)CCc1nccs1 ZINC000159813214 455405714 /nfs/dbraw/zinc/40/57/14/455405714.db2.gz JIRSCZWPZSRUFE-UHFFFAOYSA-N 1 0 343.496 3.375 10 70 EGIERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)C2CCOCC2)cc1 ZINC000160315098 455447704 /nfs/dbraw/zinc/44/77/04/455447704.db2.gz XZVDBESFAHGGLX-MRXNPFEDSA-N 1 0 332.488 3.207 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1nc2ccccc2o1 ZINC000160451517 455459745 /nfs/dbraw/zinc/45/97/45/455459745.db2.gz KSTRXQPYMGWFEU-CQSZACIVSA-N 1 0 347.484 3.157 10 70 EGIERO CN(CCOc1ccccc1F)Cc1nnc(-c2ccccc2)n1C ZINC000160721215 455491725 /nfs/dbraw/zinc/49/17/25/455491725.db2.gz NNMIOBILGVFMCB-UHFFFAOYSA-N 1 0 340.402 3.132 10 70 EGIERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)NC1CCCCC1 ZINC000160799396 455499714 /nfs/dbraw/zinc/49/97/14/455499714.db2.gz FPDKATXGLAQHSF-HZPDHXFCSA-N 1 0 340.471 3.360 10 70 EGIERO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(OC)c1 ZINC000160931707 455514941 /nfs/dbraw/zinc/51/49/41/455514941.db2.gz LICZJPIDZOYBSE-IBGZPJMESA-N 1 0 347.480 3.481 10 70 EGIERO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000160948406 455516604 /nfs/dbraw/zinc/51/66/04/455516604.db2.gz OCBMWOUCLDPHIC-RBUKOAKNSA-N 1 0 329.488 3.306 10 70 EGIERO CCCC[C@@H](COC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161067855 455529379 /nfs/dbraw/zinc/52/93/79/455529379.db2.gz YFDFRHWWGJSOSQ-IBGZPJMESA-N 1 0 328.456 3.191 10 70 EGIERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159525666 225233005 /nfs/dbraw/zinc/23/30/05/225233005.db2.gz AXWLFUWVUODVGA-KGLIPLIRSA-N 1 0 331.485 3.390 10 70 EGIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159685995 277566605 /nfs/dbraw/zinc/56/66/05/277566605.db2.gz ZDWVIWAKTXFTMD-INIZCTEOSA-N 1 0 333.476 3.270 10 70 EGIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000159386761 455373428 /nfs/dbraw/zinc/37/34/28/455373428.db2.gz RKLFIRKXHLNICU-KRWDZBQOSA-N 1 0 348.512 3.373 10 70 EGIERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccc2C)ncn1 ZINC000159708792 455397644 /nfs/dbraw/zinc/39/76/44/455397644.db2.gz IWBYGMMVPHKGMX-JKSUJKDBSA-N 1 0 325.460 3.146 10 70 EGIERO CCc1ccc([C@H](CNC(=O)[C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000160377186 455452609 /nfs/dbraw/zinc/45/26/09/455452609.db2.gz IJHZWNVFPJDBNI-BEFAXECRSA-N 1 0 332.488 3.031 10 70 EGIERO COc1ccc(Cl)cc1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160509210 455467564 /nfs/dbraw/zinc/46/75/64/455467564.db2.gz MKUPYONEFOBKAG-MRXNPFEDSA-N 1 0 338.879 3.128 10 70 EGIERO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)o1 ZINC000159817134 455406987 /nfs/dbraw/zinc/40/69/87/455406987.db2.gz CUHVAUNFPQIELE-HKUPRMALSA-N 1 0 328.456 3.407 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000160246654 455441974 /nfs/dbraw/zinc/44/19/74/455441974.db2.gz BTNHQQYGVHYMOF-FUHWJXTLSA-N 1 0 347.503 3.085 10 70 EGIERO COCc1nc(C)cc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000160798585 455499982 /nfs/dbraw/zinc/49/99/82/455499982.db2.gz GHCUUPSVRLDMCP-FQEVSTJZSA-N 1 0 340.471 3.398 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)n1 ZINC000160806342 455500709 /nfs/dbraw/zinc/50/07/09/455500709.db2.gz HQFDZCDJAWLPIV-JCQPUDPBSA-N 1 0 335.473 3.214 10 70 EGIERO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000161043032 455526897 /nfs/dbraw/zinc/52/68/97/455526897.db2.gz RTZYIEIQXXLBPN-PMPSAXMXSA-N 1 0 329.362 3.382 10 70 EGIERO CC[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161114031 455536190 /nfs/dbraw/zinc/53/61/90/455536190.db2.gz MDRFKLTYMFZYBJ-HNAYVOBHSA-N 1 0 348.441 3.404 10 70 EGIERO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CC[NH+]2CCCCC2)C1 ZINC000161147451 455540010 /nfs/dbraw/zinc/54/00/10/455540010.db2.gz GFFQYXFMKGBMTR-IRXDYDNUSA-N 1 0 342.405 3.299 10 70 EGIERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000161185881 455545902 /nfs/dbraw/zinc/54/59/02/455545902.db2.gz WVHNHJXBBCOHCC-DNVCBOLYSA-N 1 0 326.440 3.441 10 70 EGIERO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000161215561 455549462 /nfs/dbraw/zinc/54/94/62/455549462.db2.gz OLCHXQOCIWHOKX-GOSISDBHSA-N 1 0 330.451 3.435 10 70 EGIERO CCC1(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000161298641 455556618 /nfs/dbraw/zinc/55/66/18/455556618.db2.gz SKUDZFAFPJDALE-HNNXBMFYSA-N 1 0 330.476 3.239 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000161338597 455561237 /nfs/dbraw/zinc/56/12/37/455561237.db2.gz FYDNXDRCOUDZJR-AWEZNQCLSA-N 1 0 349.276 3.440 10 70 EGIERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000161370043 455563857 /nfs/dbraw/zinc/56/38/57/455563857.db2.gz WWTGTYYHYYIGOS-JTQLQIEISA-N 1 0 346.656 3.270 10 70 EGIERO Cc1cc(C(=O)CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000161402370 455567038 /nfs/dbraw/zinc/56/70/38/455567038.db2.gz ZGAYILYFOVCQOM-YIONKMFJSA-N 1 0 334.485 3.069 10 70 EGIERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1ccccc1)CCCO2 ZINC000161422668 455569080 /nfs/dbraw/zinc/56/90/80/455569080.db2.gz FSYSZBPULQVGCS-VQIMIIECSA-N 1 0 327.424 3.275 10 70 EGIERO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000161479312 533430276 /nfs/dbraw/zinc/43/02/76/533430276.db2.gz XDSNYRHOOIXSBN-CRAIPNDOSA-N 1 0 327.424 3.275 10 70 EGIERO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCC[NH3+])cc12 ZINC000160155587 225350646 /nfs/dbraw/zinc/35/06/46/225350646.db2.gz MPHRJKRCZNCEQB-UHFFFAOYSA-N 1 0 348.859 3.127 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000159813056 455406259 /nfs/dbraw/zinc/40/62/59/455406259.db2.gz QGHQTDBXNUHQIG-CQSZACIVSA-N 1 0 349.475 3.413 10 70 EGIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572524 455386127 /nfs/dbraw/zinc/38/61/27/455386127.db2.gz FBLKWJLMBJCGAP-NEPJUHHUSA-N 1 0 334.366 3.311 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000159732068 455399897 /nfs/dbraw/zinc/39/98/97/455399897.db2.gz UZIOOQCCMBEDST-OAGGEKHMSA-N 1 0 337.533 3.337 10 70 EGIERO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842150 455409246 /nfs/dbraw/zinc/40/92/46/455409246.db2.gz PCSNEEBLTFGXBA-IAGOWNOFSA-N 1 0 339.483 3.450 10 70 EGIERO Cc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160570592 455475298 /nfs/dbraw/zinc/47/52/98/455475298.db2.gz VNJQITLKZRYCIU-GOSISDBHSA-N 1 0 330.472 3.195 10 70 EGIERO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOCCOc2ccccc2)c1 ZINC000160720769 455490737 /nfs/dbraw/zinc/49/07/37/455490737.db2.gz BPTFVOXLGOVPMG-MRXNPFEDSA-N 1 0 342.439 3.391 10 70 EGIERO Cc1ccc([C@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 ZINC000161029610 455525101 /nfs/dbraw/zinc/52/51/01/455525101.db2.gz UWLIMGHTCJXGII-GOSISDBHSA-N 1 0 348.487 3.246 10 70 EGIERO CCOc1c(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)cc1OC ZINC000161144301 455539147 /nfs/dbraw/zinc/53/91/47/455539147.db2.gz QRRGKQNKRMJQTR-JTQLQIEISA-N 1 0 346.265 3.105 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000161148701 455540481 /nfs/dbraw/zinc/54/04/81/455540481.db2.gz NERWSGJRVZWHMS-ACJLOTCBSA-N 1 0 329.419 3.279 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)[C@@H](C)C1 ZINC000161191332 455546743 /nfs/dbraw/zinc/54/67/43/455546743.db2.gz MAACIABQNXLXMZ-LRDDRELGSA-N 1 0 346.862 3.189 10 70 EGIERO COCCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161462752 455572259 /nfs/dbraw/zinc/57/22/59/455572259.db2.gz KRBDIXGOIDBMRI-LPHOPBHVSA-N 1 0 329.440 3.139 10 70 EGIERO CCC[C@@H](C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161466584 455573020 /nfs/dbraw/zinc/57/30/20/455573020.db2.gz YGVYPFYDJXDNSF-AWEZNQCLSA-N 1 0 332.366 3.274 10 70 EGIERO CC[NH2+]CC1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161508741 455576616 /nfs/dbraw/zinc/57/66/16/455576616.db2.gz KZAWUNPFFDWSGV-UHFFFAOYSA-N 1 0 329.257 3.410 10 70 EGIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160192393 534144337 /nfs/dbraw/zinc/14/43/37/534144337.db2.gz IDNLEDKGGGDXMI-FAEJEUNOSA-N 1 0 347.503 3.085 10 70 EGIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000160123798 527743125 /nfs/dbraw/zinc/74/31/25/527743125.db2.gz KUWQAHQSEIGCTR-AWEZNQCLSA-N 1 0 328.378 3.253 10 70 EGIERO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160561187 546948957 /nfs/dbraw/zinc/94/89/57/546948957.db2.gz KZUWRRIROIRVDR-IDHHARJASA-N 1 0 327.428 3.425 10 70 EGIERO Cc1ccc(-c2cc(CNc3cc(C4CC([NH3+])C4)ncn3)no2)cc1 ZINC000218570034 241333539 /nfs/dbraw/zinc/33/35/39/241333539.db2.gz KGZLFEZNEUZZAD-UHFFFAOYSA-N 1 0 335.411 3.257 10 70 EGIERO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000159634052 225251951 /nfs/dbraw/zinc/25/19/51/225251951.db2.gz GXSUQXOPUOULOR-GFCCVEGCSA-N 1 0 346.450 3.037 10 70 EGIERO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000159633919 225252397 /nfs/dbraw/zinc/25/23/97/225252397.db2.gz GXSUQXOPUOULOR-LBPRGKRZSA-N 1 0 346.450 3.037 10 70 EGIERO C[C@@]1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCS1 ZINC000159383406 307873058 /nfs/dbraw/zinc/87/30/58/307873058.db2.gz WJFOZQMRVPFMRY-IBGZPJMESA-N 1 0 347.528 3.367 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COCc1cccs1 ZINC000159755969 455400564 /nfs/dbraw/zinc/40/05/64/455400564.db2.gz RDKQCMRAUYYNLG-CQSZACIVSA-N 1 0 340.514 3.035 10 70 EGIERO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159951002 455418579 /nfs/dbraw/zinc/41/85/79/455418579.db2.gz HXRGAWHLRJHSEX-HZPDHXFCSA-N 1 0 349.438 3.254 10 70 EGIERO CC(C)[C@H](O)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000160048658 455424060 /nfs/dbraw/zinc/42/40/60/455424060.db2.gz WXFQBIUVMCNGJG-SJLPKXTDSA-N 1 0 332.488 3.173 10 70 EGIERO CCc1nc(C2(NCC[N@H+](C)Cc3ccc(F)cc3)CCCC2)no1 ZINC000159894941 455413952 /nfs/dbraw/zinc/41/39/52/455413952.db2.gz XFXIVZYCBWNLTG-UHFFFAOYSA-N 1 0 346.450 3.262 10 70 EGIERO Cc1ccsc1CNC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159903166 455414582 /nfs/dbraw/zinc/41/45/82/455414582.db2.gz KDJMQATYEPMOIB-UHFFFAOYSA-N 1 0 337.514 3.082 10 70 EGIERO CC(C)N(CC[NH+](C)C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160150618 455433050 /nfs/dbraw/zinc/43/30/50/455433050.db2.gz OPCLYIKZQWESLA-UHFFFAOYSA-N 1 0 340.471 3.230 10 70 EGIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3cc(C)c(C)cc31)CC2 ZINC000160448300 455460092 /nfs/dbraw/zinc/46/00/92/455460092.db2.gz RPYAICKSAYSACA-DOTOQJQBSA-N 1 0 326.444 3.022 10 70 EGIERO CCCCOc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1OC ZINC000160457147 455461141 /nfs/dbraw/zinc/46/11/41/455461141.db2.gz DDQVASZTUPGXIL-AWEZNQCLSA-N 1 0 349.475 3.068 10 70 EGIERO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000160809049 455500775 /nfs/dbraw/zinc/50/07/75/455500775.db2.gz LJOWXIUUSNLIRB-UHFFFAOYSA-N 1 0 349.862 3.348 10 70 EGIERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CCCO2 ZINC000161422369 455568474 /nfs/dbraw/zinc/56/84/74/455568474.db2.gz FSYSZBPULQVGCS-QFBILLFUSA-N 1 0 327.424 3.275 10 70 EGIERO Cc1c2ccccc2oc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000217215736 456032723 /nfs/dbraw/zinc/03/27/23/456032723.db2.gz PDJYDKBSUOGUIT-UHFFFAOYSA-N 1 0 329.444 3.415 10 70 EGIERO COc1ccc(OC)c(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000218017406 547240104 /nfs/dbraw/zinc/24/01/04/547240104.db2.gz ISFKEBMKVHYQNN-UHFFFAOYSA-N 1 0 340.467 3.412 10 70 EGIERO COc1ccc(CCCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159456272 140938655 /nfs/dbraw/zinc/93/86/55/140938655.db2.gz FHPYNAGVIBGRTR-HDICACEKSA-N 1 0 330.472 3.151 10 70 EGIERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160137721 225346308 /nfs/dbraw/zinc/34/63/08/225346308.db2.gz CRACYRFCUQAKDM-GFCCVEGCSA-N 1 0 331.847 3.344 10 70 EGIERO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC(F)F)cc1 ZINC000159562222 280186784 /nfs/dbraw/zinc/18/67/84/280186784.db2.gz DRDLTVAYVJJNEO-OAHLLOKOSA-N 1 0 326.387 3.341 10 70 EGIERO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000159421026 307873581 /nfs/dbraw/zinc/87/35/81/307873581.db2.gz JVWYLOWRWMUSME-DNVCBOLYSA-N 1 0 336.476 3.189 10 70 EGIERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC1=CCCC1 ZINC000160237072 307886814 /nfs/dbraw/zinc/88/68/14/307886814.db2.gz NFKNAJUPMRFGEG-UHFFFAOYSA-N 1 0 342.487 3.369 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000159512045 455381331 /nfs/dbraw/zinc/38/13/31/455381331.db2.gz XNPMOVYDNMUJOW-MOPGFXCFSA-N 1 0 346.519 3.241 10 70 EGIERO Cc1c(F)cccc1-c1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159546658 455384463 /nfs/dbraw/zinc/38/44/63/455384463.db2.gz CVAUFNQTIRXRAH-GXTWGEPZSA-N 1 0 330.403 3.480 10 70 EGIERO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160008363 455422581 /nfs/dbraw/zinc/42/25/81/455422581.db2.gz YQWTXCLPBXAHGD-NVXWUHKLSA-N 1 0 334.410 3.155 10 70 EGIERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccco1)C1CCCC1 ZINC000160732798 455493404 /nfs/dbraw/zinc/49/34/04/455493404.db2.gz UYZOKESQJZZHGX-MRXNPFEDSA-N 1 0 331.460 3.218 10 70 EGIERO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159433283 455377412 /nfs/dbraw/zinc/37/74/12/455377412.db2.gz PGRFHXMQSXJYAW-KXBFYZLASA-N 1 0 336.476 3.189 10 70 EGIERO CC[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000159914772 455415307 /nfs/dbraw/zinc/41/53/07/455415307.db2.gz HIBXGHDDXKXTGB-NVXWUHKLSA-N 1 0 345.512 3.087 10 70 EGIERO CCOCCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160154882 455432946 /nfs/dbraw/zinc/43/29/46/455432946.db2.gz DSLUDSHMQDPWOQ-HNNXBMFYSA-N 1 0 333.407 3.482 10 70 EGIERO COc1ccc(OC)c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000160763906 455495670 /nfs/dbraw/zinc/49/56/70/455495670.db2.gz STZIIMUMHSGQBB-ZDUSSCGKSA-N 1 0 333.432 3.494 10 70 EGIERO CC[N@H+](CCc1nccs1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161019217 455524436 /nfs/dbraw/zinc/52/44/36/455524436.db2.gz BVYHEFBQKMCPDA-UHFFFAOYSA-N 1 0 337.533 3.292 10 70 EGIERO CC[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161113940 455535341 /nfs/dbraw/zinc/53/53/41/455535341.db2.gz MDRFKLTYMFZYBJ-KXBFYZLASA-N 1 0 348.441 3.404 10 70 EGIERO CCC[C@@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[NH+](C)C ZINC000161358960 455562977 /nfs/dbraw/zinc/56/29/77/455562977.db2.gz JRVHVJWFSQQDEF-HNNXBMFYSA-N 1 0 346.393 3.112 10 70 EGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000159525553 533381992 /nfs/dbraw/zinc/38/19/92/533381992.db2.gz AXWLFUWVUODVGA-UONOGXRCSA-N 1 0 331.485 3.390 10 70 EGIERO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1Br ZINC000161173958 264889834 /nfs/dbraw/zinc/88/98/34/264889834.db2.gz PSDJTLIUJZIWDX-ZDUSSCGKSA-N 1 0 341.293 3.464 10 70 EGIERO CCc1ccc([C@@H](CNC(=O)[C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000160377060 307889121 /nfs/dbraw/zinc/88/91/21/307889121.db2.gz IJHZWNVFPJDBNI-DNVCBOLYSA-N 1 0 332.488 3.031 10 70 EGIERO CCC[C@@H](C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161506312 307903553 /nfs/dbraw/zinc/90/35/53/307903553.db2.gz JWBDOTIDBBWUKS-RISCZKNCSA-N 1 0 332.366 3.493 10 70 EGIERO C[C@]1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCS1 ZINC000159383264 455373843 /nfs/dbraw/zinc/37/38/43/455373843.db2.gz WJFOZQMRVPFMRY-LJQANCHMSA-N 1 0 347.528 3.367 10 70 EGIERO O=C(c1cc2cc(Br)ccc2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159500073 455380302 /nfs/dbraw/zinc/38/03/02/455380302.db2.gz GPWHBQLEPKZZJF-BETUJISGSA-N 1 0 349.228 3.162 10 70 EGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000159607604 455389094 /nfs/dbraw/zinc/38/90/94/455389094.db2.gz LOZJTDWVVTZSMN-DOTOQJQBSA-N 1 0 348.450 3.111 10 70 EGIERO CC1(C)CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159631573 455391220 /nfs/dbraw/zinc/39/12/20/455391220.db2.gz AYVBHKOXZCLYEG-HNAYVOBHSA-N 1 0 341.499 3.484 10 70 EGIERO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000159694584 455396249 /nfs/dbraw/zinc/39/62/49/455396249.db2.gz PRHDBMLNAHFBIM-JKSUJKDBSA-N 1 0 336.426 3.497 10 70 EGIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159893791 455413370 /nfs/dbraw/zinc/41/33/70/455413370.db2.gz BEJXYYWMKGRIHA-CYBMUJFWSA-N 1 0 333.863 3.354 10 70 EGIERO C[NH+](C)C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000160545425 455473059 /nfs/dbraw/zinc/47/30/59/455473059.db2.gz GPDYVNOSWGAFLK-HOCLYGCPSA-N 1 0 345.468 3.027 10 70 EGIERO CCC[C@@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)[NH+](C)C ZINC000160608042 455480206 /nfs/dbraw/zinc/48/02/06/455480206.db2.gz QZUGKHFQHLIJIG-SFHVURJKSA-N 1 0 333.476 3.112 10 70 EGIERO COCc1nc(C)cc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000160798724 455499803 /nfs/dbraw/zinc/49/98/03/455499803.db2.gz GHCUUPSVRLDMCP-HXUWFJFHSA-N 1 0 340.471 3.398 10 70 EGIERO Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)c(Br)c1 ZINC000161131101 455537942 /nfs/dbraw/zinc/53/79/42/455537942.db2.gz NASYFHVSMNIMTG-ZDUSSCGKSA-N 1 0 337.261 3.068 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000161305024 455556997 /nfs/dbraw/zinc/55/69/97/455556997.db2.gz PSCNQZPOZMIYEB-CQSZACIVSA-N 1 0 334.464 3.409 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000161327398 455559386 /nfs/dbraw/zinc/55/93/86/455559386.db2.gz UPBFIXFYAIIIGS-AWEZNQCLSA-N 1 0 334.851 3.210 10 70 EGIERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160006454 546942876 /nfs/dbraw/zinc/94/28/76/546942876.db2.gz LUJAFCDIDJVACN-INIZCTEOSA-N 1 0 334.508 3.328 10 70 EGIERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)c3ccc(C)cc3)C2)n1 ZINC000159440692 225219136 /nfs/dbraw/zinc/21/91/36/225219136.db2.gz CNCFFZDFFFCKKA-GOSISDBHSA-N 1 0 340.471 3.188 10 70 EGIERO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000159420759 307873556 /nfs/dbraw/zinc/87/35/56/307873556.db2.gz JVWYLOWRWMUSME-HNAYVOBHSA-N 1 0 336.476 3.189 10 70 EGIERO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159433626 307873579 /nfs/dbraw/zinc/87/35/79/307873579.db2.gz PGRFHXMQSXJYAW-DNVCBOLYSA-N 1 0 336.476 3.189 10 70 EGIERO CC[N@H+](C)[C@H](C(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000160389961 455453842 /nfs/dbraw/zinc/45/38/42/455453842.db2.gz VEBBPZKNPNWJPD-IBGZPJMESA-N 1 0 336.439 3.181 10 70 EGIERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000159804234 455406147 /nfs/dbraw/zinc/40/61/47/455406147.db2.gz VHUVFCWZRJGQOX-CRAIPNDOSA-N 1 0 329.488 3.341 10 70 EGIERO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160522098 455469786 /nfs/dbraw/zinc/46/97/86/455469786.db2.gz LEIXWEFSPXAVOK-GOSISDBHSA-N 1 0 340.471 3.031 10 70 EGIERO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161113855 455534938 /nfs/dbraw/zinc/53/49/38/455534938.db2.gz MDRFKLTYMFZYBJ-DNVCBOLYSA-N 1 0 348.441 3.404 10 70 EGIERO CC1(NC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCC1 ZINC000161131567 455538247 /nfs/dbraw/zinc/53/82/47/455538247.db2.gz GEARXJQXSJLOEU-CYBMUJFWSA-N 1 0 337.414 3.171 10 70 EGIERO CCC[C@@H](C(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000161213894 455548331 /nfs/dbraw/zinc/54/83/31/455548331.db2.gz FAYHJVQUZKDXLQ-AWEZNQCLSA-N 1 0 327.266 3.138 10 70 EGIERO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC000161211265 455548873 /nfs/dbraw/zinc/54/88/73/455548873.db2.gz XQOQAMMZVARNAI-FRFSOERESA-N 1 0 336.426 3.307 10 70 EGIERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC2(CCC2)C1 ZINC000159381736 534658584 /nfs/dbraw/zinc/65/85/84/534658584.db2.gz HAPGPEWLOUGVHZ-UHFFFAOYSA-N 1 0 327.472 3.368 10 70 EGIERO C[C@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112510 241236500 /nfs/dbraw/zinc/23/65/00/241236500.db2.gz VAQUTDYMSRBPDG-YWZLYKJASA-N 1 0 334.419 3.490 10 70 EGIERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N1CCCCCC1 ZINC000160838141 275196187 /nfs/dbraw/zinc/19/61/87/275196187.db2.gz IQFYJLWQKXZBAD-IRXDYDNUSA-N 1 0 340.471 3.314 10 70 EGIERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000161506200 307903559 /nfs/dbraw/zinc/90/35/59/307903559.db2.gz JWBDOTIDBBWUKS-SMDDNHRTSA-N 1 0 332.366 3.493 10 70 EGIERO O=C(NCCCc1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159521502 455382268 /nfs/dbraw/zinc/38/22/68/455382268.db2.gz ZJUFQXMMXORSJS-LJQANCHMSA-N 1 0 347.478 3.418 10 70 EGIERO O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159801675 455405257 /nfs/dbraw/zinc/40/52/57/455405257.db2.gz DDUNOWCIMDHOBL-TXEJJXNPSA-N 1 0 330.375 3.265 10 70 EGIERO Cc1cnn([C@@H]2CCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)c1 ZINC000159467703 455378267 /nfs/dbraw/zinc/37/82/67/455378267.db2.gz BJCZQTJAXIDKOS-GOSISDBHSA-N 1 0 346.519 3.113 10 70 EGIERO O=C(c1cc(-c2ccc(Cl)s2)on1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159490461 455380622 /nfs/dbraw/zinc/38/06/22/455380622.db2.gz VKPIUQWCPCRYJI-AOOOYVTPSA-N 1 0 337.832 3.023 10 70 EGIERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CCN1C ZINC000161114381 455536166 /nfs/dbraw/zinc/53/61/66/455536166.db2.gz SYLCOIXUYBOBPQ-OWCLPIDISA-N 1 0 337.458 3.002 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000161296306 455556819 /nfs/dbraw/zinc/55/68/19/455556819.db2.gz HKLZKBYCFPGRSP-HNNXBMFYSA-N 1 0 332.423 3.086 10 70 EGIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1c(C)cccc1C ZINC000159385478 528608684 /nfs/dbraw/zinc/60/86/84/528608684.db2.gz QSTRERFPTHBECG-MRXNPFEDSA-N 1 0 334.485 3.064 10 70 EGIERO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000161196693 529004712 /nfs/dbraw/zinc/00/47/12/529004712.db2.gz FTSDLPSPAMWJFC-WMLDXEAASA-N 1 0 333.476 3.179 10 70 EGIERO C[C@H]([NH2+]CCCc1cccc(F)c1)c1cccc(-n2cnnn2)c1 ZINC000159744454 546942080 /nfs/dbraw/zinc/94/20/80/546942080.db2.gz BIEWTKJAQWADEY-AWEZNQCLSA-N 1 0 325.391 3.085 10 70 EGIERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160006599 546942990 /nfs/dbraw/zinc/94/29/90/546942990.db2.gz LUJAFCDIDJVACN-MRXNPFEDSA-N 1 0 334.508 3.328 10 70 EGIERO CS(=O)(=O)CCCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000161487239 546956172 /nfs/dbraw/zinc/95/61/72/546956172.db2.gz MANOOCIFGRYOAW-UHFFFAOYSA-N 1 0 349.418 3.495 10 70 EGIERO CCCCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCC ZINC000159653177 455393889 /nfs/dbraw/zinc/39/38/89/455393889.db2.gz AJGKHJDTQBHGNG-RDJZCZTQSA-N 1 0 348.487 3.350 10 70 EGIERO c1nc(N2CCOCC2)sc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000159750938 455400662 /nfs/dbraw/zinc/40/06/62/455400662.db2.gz VXRUEAQNBCNUAQ-UHFFFAOYSA-N 1 0 341.480 3.269 10 70 EGIERO Cc1cc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)ccc1F ZINC000160683314 455488097 /nfs/dbraw/zinc/48/80/97/455488097.db2.gz KDWASNMHLQNBNO-DNVCBOLYSA-N 1 0 345.418 3.311 10 70 EGIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000159572651 455385725 /nfs/dbraw/zinc/38/57/25/455385725.db2.gz FBLKWJLMBJCGAP-RYUDHWBXSA-N 1 0 334.366 3.311 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)Cc1ccccc1 ZINC000159819338 455407043 /nfs/dbraw/zinc/40/70/43/455407043.db2.gz ODMZWFICYMQJKK-UHFFFAOYSA-N 1 0 331.485 3.055 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159878646 455412636 /nfs/dbraw/zinc/41/26/36/455412636.db2.gz YSXJRSXRHRRBCR-JKSUJKDBSA-N 1 0 337.533 3.433 10 70 EGIERO Cc1cccc2nc(CN[C@@H](C)c3cn(-c4ccccc4)nn3)cn21 ZINC000160307355 455446458 /nfs/dbraw/zinc/44/64/58/455446458.db2.gz NPPCVPITNXPENQ-HNNXBMFYSA-N 1 0 332.411 3.074 10 70 EGIERO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161022780 455524670 /nfs/dbraw/zinc/52/46/70/455524670.db2.gz JTQDIKQNSCCFTD-CTNGQTDRSA-N 1 0 344.499 3.199 10 70 EGIERO C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)C1CCOCC1 ZINC000161139890 455539089 /nfs/dbraw/zinc/53/90/89/455539089.db2.gz WFJPAESWYMMDPU-ZBFHGGJFSA-N 1 0 338.442 3.334 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccnc2SC(F)(F)F)C1 ZINC000161170505 455542694 /nfs/dbraw/zinc/54/26/94/455542694.db2.gz WFEUIQQFTULWHL-PWSUYJOCSA-N 1 0 347.406 3.152 10 70 EGIERO CCC(CC)(C[NH3+])C(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000161208987 455548194 /nfs/dbraw/zinc/54/81/94/455548194.db2.gz DKHSJIQTKAAAMC-UHFFFAOYSA-N 1 0 332.488 3.241 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000161296237 455556827 /nfs/dbraw/zinc/55/68/27/455556827.db2.gz HKLZKBYCFPGRSP-OAHLLOKOSA-N 1 0 332.423 3.086 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000161327677 455559957 /nfs/dbraw/zinc/55/99/57/455559957.db2.gz IVGVLMVIHUKESB-AWEZNQCLSA-N 1 0 334.851 3.210 10 70 EGIERO COCCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000161463141 455572699 /nfs/dbraw/zinc/57/26/99/455572699.db2.gz KRBDIXGOIDBMRI-VQIMIIECSA-N 1 0 329.440 3.139 10 70 EGIERO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160377458 526958811 /nfs/dbraw/zinc/95/88/11/526958811.db2.gz PMFFGNLOKOZTHC-QGZVFWFLSA-N 1 0 346.475 3.195 10 70 EGIERO CC[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1c(C)noc1C ZINC000160714431 546950142 /nfs/dbraw/zinc/95/01/42/546950142.db2.gz XLCGJDBIDJQBJC-SJORKVTESA-N 1 0 329.444 3.032 10 70 EGIERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160873216 273602357 /nfs/dbraw/zinc/60/23/57/273602357.db2.gz BDAUJXDCRDDMSO-HUUCEWRRSA-N 1 0 328.460 3.216 10 70 EGIERO O=C(NCC1(Sc2ccccc2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000159702654 455397494 /nfs/dbraw/zinc/39/74/94/455397494.db2.gz OUZZAFVHKQNCCE-PVAVHDDUSA-N 1 0 330.497 3.348 10 70 EGIERO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000159925530 455415843 /nfs/dbraw/zinc/41/58/43/455415843.db2.gz GPQPRCLVBRPBOC-HZPDHXFCSA-N 1 0 349.438 3.254 10 70 EGIERO CCOc1ccc(OC)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160097162 455428820 /nfs/dbraw/zinc/42/88/20/455428820.db2.gz AUHLMWNNTOLKOD-UHFFFAOYSA-N 1 0 349.475 3.336 10 70 EGIERO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160387325 455453654 /nfs/dbraw/zinc/45/36/54/455453654.db2.gz FKXBMYQKMGKDMY-PXNSSMCTSA-N 1 0 346.515 3.267 10 70 EGIERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nccs1 ZINC000160810939 455501287 /nfs/dbraw/zinc/50/12/87/455501287.db2.gz MPQJWRBWJVAQHR-STQMWFEESA-N 1 0 341.440 3.007 10 70 EGIERO O=C(c1cnc(-c2ccccc2Cl)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159449791 455377218 /nfs/dbraw/zinc/37/72/18/455377218.db2.gz YYSASTXPBKVPQL-TXEJJXNPSA-N 1 0 347.871 3.430 10 70 EGIERO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000159622325 455390182 /nfs/dbraw/zinc/39/01/82/455390182.db2.gz DVJIQMKOOQCGKT-RDJZCZTQSA-N 1 0 339.439 3.268 10 70 EGIERO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000160083178 455427652 /nfs/dbraw/zinc/42/76/52/455427652.db2.gz CZWWBPRCJUOYEK-LBPRGKRZSA-N 1 0 335.350 3.466 10 70 EGIERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2)n1 ZINC000160109027 455429248 /nfs/dbraw/zinc/42/92/48/455429248.db2.gz SFLVCIGHHHMVSO-AZUAARDMSA-N 1 0 326.440 3.105 10 70 EGIERO Fc1cccc(-c2noc([C@H]3CCC[N@H+](CCOCC4CC4)C3)n2)c1 ZINC000160152674 455432484 /nfs/dbraw/zinc/43/24/84/455432484.db2.gz IPCMCWIORXBKAK-INIZCTEOSA-N 1 0 345.418 3.482 10 70 EGIERO CC[NH+]1CCN(c2ccccc2NC(=O)NCCC2=CCCC2)CC1 ZINC000160322797 455448894 /nfs/dbraw/zinc/44/88/94/455448894.db2.gz RTUVIABJNVMJPL-UHFFFAOYSA-N 1 0 342.487 3.450 10 70 EGIERO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160625001 455481313 /nfs/dbraw/zinc/48/13/13/455481313.db2.gz NUTJPVQPSIIHMW-QGZVFWFLSA-N 1 0 343.471 3.152 10 70 EGIERO CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)OC)cc1)C(C)C ZINC000160956249 455517544 /nfs/dbraw/zinc/51/75/44/455517544.db2.gz DMPYMQZNMZPDFZ-SFHVURJKSA-N 1 0 346.471 3.085 10 70 EGIERO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000161099773 455532771 /nfs/dbraw/zinc/53/27/71/455532771.db2.gz IDKSQJLHUVVXHH-GJZGRUSLSA-N 1 0 330.453 3.327 10 70 EGIERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152192 455541214 /nfs/dbraw/zinc/54/12/14/455541214.db2.gz RKIFXFKVTMINHF-BEFAXECRSA-N 1 0 329.419 3.138 10 70 EGIERO CC[NH+](CC)CCSCC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161357340 455563205 /nfs/dbraw/zinc/56/32/05/455563205.db2.gz LXEZCNDQOUXBGE-UHFFFAOYSA-N 1 0 346.500 3.194 10 70 EGIERO CCC[C@H](C(=O)Nc1ccc(Sc2nccn2C)cc1)[NH+](C)C ZINC000161418298 455568534 /nfs/dbraw/zinc/56/85/34/455568534.db2.gz HYRZWYBOTOOPPU-OAHLLOKOSA-N 1 0 332.473 3.240 10 70 EGIERO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000161478935 533878780 /nfs/dbraw/zinc/87/87/80/533878780.db2.gz XDSNYRHOOIXSBN-YJBOKZPZSA-N 1 0 327.424 3.275 10 70 EGIERO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161184459 546953639 /nfs/dbraw/zinc/95/36/39/546953639.db2.gz ZRMYFBGMEBABHV-PBFPGSCMSA-N 1 0 333.457 3.486 10 70 EGIERO CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1c(C)noc1C ZINC000161352219 546954968 /nfs/dbraw/zinc/95/49/68/546954968.db2.gz KDRNSOUYMVQKFG-DLBZAZTESA-N 1 0 344.459 3.345 10 70 EGIERO COc1cc(OC)c([C@H](C)[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000159563512 533059840 /nfs/dbraw/zinc/05/98/40/533059840.db2.gz PKBZGPYVGRCKHD-LBPRGKRZSA-N 1 0 340.851 3.020 10 70 EGIERO c1ccc(-c2noc(CCC[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159628120 275066588 /nfs/dbraw/zinc/06/65/88/275066588.db2.gz KFHCVEKQBHHIFS-DLBZAZTESA-N 1 0 327.428 3.313 10 70 EGIERO CC(C)[NH2+]CCC(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000161304392 307901257 /nfs/dbraw/zinc/90/12/57/307901257.db2.gz QZAYSMVAGWIUQL-FQEVSTJZSA-N 1 0 340.467 3.449 10 70 EGIERO Cc1cccc(OC[C@H](O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159815791 455406708 /nfs/dbraw/zinc/40/67/08/455406708.db2.gz GWPDQHZXAVWIFG-MRXNPFEDSA-N 1 0 334.485 3.144 10 70 EGIERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000160064281 455424931 /nfs/dbraw/zinc/42/49/31/455424931.db2.gz MPGIYUNKJXOPFG-KBXCAEBGSA-N 1 0 333.451 3.234 10 70 EGIERO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@](C)(O)CC ZINC000160461245 455461658 /nfs/dbraw/zinc/46/16/58/455461658.db2.gz AYDIYMFRDQBHGU-OAHLLOKOSA-N 1 0 332.366 3.127 10 70 EGIERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3cc(C)c(C)cc31)CC2 ZINC000160448046 455460470 /nfs/dbraw/zinc/46/04/70/455460470.db2.gz RPYAICKSAYSACA-NVXWUHKLSA-N 1 0 326.444 3.022 10 70 EGIERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000160543321 455471433 /nfs/dbraw/zinc/47/14/33/455471433.db2.gz LLWMHLDQOHAIEA-LLVKDONJSA-N 1 0 343.370 3.228 10 70 EGIERO Cc1cccc2[nH]c(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)nc21 ZINC000160582460 455476129 /nfs/dbraw/zinc/47/61/29/455476129.db2.gz GXSPZQBRARNDKC-HNNXBMFYSA-N 1 0 340.471 3.142 10 70 EGIERO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161084325 455531962 /nfs/dbraw/zinc/53/19/62/455531962.db2.gz IIIPAQWCUJSUDB-QGZVFWFLSA-N 1 0 340.467 3.191 10 70 EGIERO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1)[C@H]1CCOC1 ZINC000161235242 455551414 /nfs/dbraw/zinc/55/14/14/455551414.db2.gz OGULUADSIIUAKP-XIRDDKMYSA-N 1 0 337.460 3.186 10 70 EGIERO C[N@H+](CCc1ccncc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161355500 455561806 /nfs/dbraw/zinc/56/18/06/455561806.db2.gz IYBMQVDNNYDJEG-UHFFFAOYSA-N 1 0 345.244 3.395 10 70 EGIERO COc1cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc(OC)c1OC ZINC000161473339 455573978 /nfs/dbraw/zinc/57/39/78/455573978.db2.gz UPQRGTLFXROOOZ-RHSMWYFYSA-N 1 0 345.439 3.139 10 70 EGIERO Cc1nccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Cl ZINC000159972380 546942940 /nfs/dbraw/zinc/94/29/40/546942940.db2.gz XUEIRORNCAZXKA-OAHLLOKOSA-N 1 0 346.862 3.338 10 70 EGIERO C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](c2ccco2)C1 ZINC000161492945 546956267 /nfs/dbraw/zinc/95/62/67/546956267.db2.gz MTVNSCFTRJHZKD-GOEBONIOSA-N 1 0 345.447 3.043 10 70 EGIERO C[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112488 241236234 /nfs/dbraw/zinc/23/62/34/241236234.db2.gz VAQUTDYMSRBPDG-QRWLVFNGSA-N 1 0 334.419 3.490 10 70 EGIERO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1Cc1ccccc1 ZINC000160070584 225332629 /nfs/dbraw/zinc/33/26/29/225332629.db2.gz AVNAUUIJMFWWPJ-KDURUIRLSA-N 1 0 337.467 3.120 10 70 EGIERO COc1cccc(Cl)c1CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000159973236 307883084 /nfs/dbraw/zinc/88/30/84/307883084.db2.gz UDRVTRDIQRIYHR-INIZCTEOSA-N 1 0 340.895 3.374 10 70 EGIERO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000160386954 455454291 /nfs/dbraw/zinc/45/42/91/455454291.db2.gz UYRXLTFLSOYDJO-GDBMZVCRSA-N 1 0 336.501 3.064 10 70 EGIERO C[C@H](COc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000159640901 455391700 /nfs/dbraw/zinc/39/17/00/455391700.db2.gz XCVHPJOHZIUNSS-BEFAXECRSA-N 1 0 344.430 3.260 10 70 EGIERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCC(C)C)n2)[C@H](C)C1 ZINC000159897655 455413869 /nfs/dbraw/zinc/41/38/69/455413869.db2.gz RHRHRXCNTTWMKL-CVEARBPZSA-N 1 0 335.496 3.123 10 70 EGIERO CNc1ncc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000160244112 455441939 /nfs/dbraw/zinc/44/19/39/455441939.db2.gz XMYCMFJEHFPOLI-CYBMUJFWSA-N 1 0 344.484 3.140 10 70 EGIERO CNc1ncc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000160243992 455442059 /nfs/dbraw/zinc/44/20/59/455442059.db2.gz XMYCMFJEHFPOLI-ZDUSSCGKSA-N 1 0 344.484 3.140 10 70 EGIERO CCn1cc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000160459504 455461395 /nfs/dbraw/zinc/46/13/95/455461395.db2.gz UUOLQNJYNQDGLU-UHFFFAOYSA-N 1 0 335.455 3.468 10 70 EGIERO O=C(CCCCc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160613412 455480435 /nfs/dbraw/zinc/48/04/35/455480435.db2.gz MQGALGPJCGXGDK-GASCZTMLSA-N 1 0 343.496 3.362 10 70 EGIERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000160987445 455521412 /nfs/dbraw/zinc/52/14/12/455521412.db2.gz ATNLXRPHOPESMF-SWLSCSKDSA-N 1 0 339.277 3.153 10 70 EGIERO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161178089 455544077 /nfs/dbraw/zinc/54/40/77/455544077.db2.gz IJWTVLJMOBJAQD-NQIIRXRSSA-N 1 0 344.499 3.377 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000161262262 455553736 /nfs/dbraw/zinc/55/37/36/455553736.db2.gz OODNWUMYCOWQIE-IBGZPJMESA-N 1 0 342.487 3.127 10 70 EGIERO C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2ccco2)C1 ZINC000161492689 546955860 /nfs/dbraw/zinc/95/58/60/546955860.db2.gz MTVNSCFTRJHZKD-HOCLYGCPSA-N 1 0 345.447 3.043 10 70 EGIERO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000159957054 307882774 /nfs/dbraw/zinc/88/27/74/307882774.db2.gz DESUSDIUETZZEF-IAGOWNOFSA-N 1 0 329.488 3.470 10 70 EGIERO CCC(CC)(CNC(=O)C[C@H](O)C(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000160048916 307883981 /nfs/dbraw/zinc/88/39/81/307883981.db2.gz QXGLCPQHJDMWAR-WMZOPIPTSA-N 1 0 334.504 3.419 10 70 EGIERO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1Oc1cccnc1 ZINC000159622177 455390562 /nfs/dbraw/zinc/39/05/62/455390562.db2.gz DVJIQMKOOQCGKT-DOTOQJQBSA-N 1 0 339.439 3.268 10 70 EGIERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160381694 455452454 /nfs/dbraw/zinc/45/24/54/455452454.db2.gz VKSYKLHWANYLFA-NEPXVJNWSA-N 1 0 330.447 3.137 10 70 EGIERO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000160386828 455453695 /nfs/dbraw/zinc/45/36/95/455453695.db2.gz UYRXLTFLSOYDJO-GOEBONIOSA-N 1 0 336.501 3.064 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C(C)C)cs1 ZINC000160564990 455474598 /nfs/dbraw/zinc/47/45/98/455474598.db2.gz TUHGOIXJIVRCDK-CQSZACIVSA-N 1 0 338.521 3.186 10 70 EGIERO Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160565029 455474997 /nfs/dbraw/zinc/47/49/97/455474997.db2.gz DFDJCLKHUHAKKM-BETUJISGSA-N 1 0 345.830 3.270 10 70 EGIERO Cc1ccc([C@@H]2COCCN2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000159726669 455398649 /nfs/dbraw/zinc/39/86/49/455398649.db2.gz IYYLIRFOLBZULL-SFHVURJKSA-N 1 0 332.419 3.232 10 70 EGIERO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000160545694 455472596 /nfs/dbraw/zinc/47/25/96/455472596.db2.gz IACUEPYIACOCBE-YOKBYHGQSA-N 1 0 336.426 3.305 10 70 EGIERO O[C@]12CCCC[C@@H]1C[N@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000161050385 455527722 /nfs/dbraw/zinc/52/77/22/455527722.db2.gz BYNJWJGGHYXJLR-XLIONFOSSA-N 1 0 341.455 3.296 10 70 EGIERO CCCC[C@H](COC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161067941 455529737 /nfs/dbraw/zinc/52/97/37/455529737.db2.gz YFDFRHWWGJSOSQ-LJQANCHMSA-N 1 0 328.456 3.191 10 70 EGIERO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000161099994 455533070 /nfs/dbraw/zinc/53/30/70/455533070.db2.gz IDKSQJLHUVVXHH-CABCVRRESA-N 1 0 330.453 3.327 10 70 EGIERO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000161148796 455539791 /nfs/dbraw/zinc/53/97/91/455539791.db2.gz NERWSGJRVZWHMS-UGSOOPFHSA-N 1 0 329.419 3.279 10 70 EGIERO CCC[C@@H](C(=O)N[C@H](C)c1ccccc1Br)[NH+](C)C ZINC000161243019 455552480 /nfs/dbraw/zinc/55/24/80/455552480.db2.gz NGWLGWYXRWOTPF-RISCZKNCSA-N 1 0 327.266 3.357 10 70 EGIERO CCC1(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC1 ZINC000161298749 455556523 /nfs/dbraw/zinc/55/65/23/455556523.db2.gz SKUDZFAFPJDALE-OAHLLOKOSA-N 1 0 330.476 3.239 10 70 EGIERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CCCO2 ZINC000161422511 455569022 /nfs/dbraw/zinc/56/90/22/455569022.db2.gz FSYSZBPULQVGCS-LPHOPBHVSA-N 1 0 327.424 3.275 10 70 EGIERO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1OC ZINC000161433757 455570704 /nfs/dbraw/zinc/57/07/04/455570704.db2.gz GXGFNDVTTYPVCU-RDJZCZTQSA-N 1 0 329.440 3.439 10 70 EGIERO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000159633057 534252988 /nfs/dbraw/zinc/25/29/88/534252988.db2.gz FMHAGBDHNPVMKF-VCBZYWHSSA-N 1 0 327.472 3.409 10 70 EGIERO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1NC(C)=O ZINC000160061321 533171435 /nfs/dbraw/zinc/17/14/35/533171435.db2.gz GHMWFDLCDPCHLT-SGTLLEGYSA-N 1 0 348.468 3.273 10 70 EGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1OC(F)F ZINC000159573227 533380460 /nfs/dbraw/zinc/38/04/60/533380460.db2.gz FRLILZBANOHIPY-LLVKDONJSA-N 1 0 330.350 3.090 10 70 EGIERO CCn1cnnc1C1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159502325 225230663 /nfs/dbraw/zinc/23/06/63/225230663.db2.gz JVQXYWKJOAIBIQ-UHFFFAOYSA-N 1 0 326.444 3.059 10 70 EGIERO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1NC(C)=O ZINC000160061456 225329987 /nfs/dbraw/zinc/32/99/87/225329987.db2.gz GHMWFDLCDPCHLT-XIKOKIGWSA-N 1 0 348.468 3.273 10 70 EGIERO CCC(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160512672 264876533 /nfs/dbraw/zinc/87/65/33/264876533.db2.gz JLMSJQYXCDHQQB-QGZVFWFLSA-N 1 0 346.475 3.277 10 70 EGIERO CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000160742777 264884034 /nfs/dbraw/zinc/88/40/34/264884034.db2.gz KBPVGFWWYROJSM-BHUNQDJPSA-N 1 0 341.565 3.470 10 70 EGIERO Brc1ccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217345288 266195059 /nfs/dbraw/zinc/19/50/59/266195059.db2.gz FKZMDOXRHTUKTJ-CVEARBPZSA-N 1 0 340.261 3.471 10 70 EGIERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160839876 275196195 /nfs/dbraw/zinc/19/61/95/275196195.db2.gz KCDAAJWBSOQCAQ-HZPDHXFCSA-N 1 0 328.460 3.218 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000159829533 455408121 /nfs/dbraw/zinc/40/81/21/455408121.db2.gz ZATRZMSECINFBI-AWEZNQCLSA-N 1 0 335.517 3.186 10 70 EGIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000159702603 455397275 /nfs/dbraw/zinc/39/72/75/455397275.db2.gz VFUAYBYFAGAYMN-GXSJLCMTSA-N 1 0 332.778 3.027 10 70 EGIERO C[NH+](C)C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000160545568 455473168 /nfs/dbraw/zinc/47/31/68/455473168.db2.gz GPDYVNOSWGAFLK-ZBFHGGJFSA-N 1 0 345.468 3.027 10 70 EGIERO CC(C)OCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159658676 455393473 /nfs/dbraw/zinc/39/34/73/455393473.db2.gz FLRBMYABWNSWFF-UHFFFAOYSA-N 1 0 330.472 3.103 10 70 EGIERO CCC[C@H](C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[NH+](C)C ZINC000159697749 455396432 /nfs/dbraw/zinc/39/64/32/455396432.db2.gz MIPVLTATLLSFAE-GDBMZVCRSA-N 1 0 349.544 3.458 10 70 EGIERO O=C(/C=C/c1cccc2cccnc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159741344 455399216 /nfs/dbraw/zinc/39/92/16/455399216.db2.gz XHPNYYFFXSXQFZ-CMDGGOBGSA-N 1 0 335.451 3.239 10 70 EGIERO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842275 455408840 /nfs/dbraw/zinc/40/88/40/455408840.db2.gz PCSNEEBLTFGXBA-IRXDYDNUSA-N 1 0 339.483 3.450 10 70 EGIERO Cc1nn(C)c2ncc(C[N@@H+](CCc3nccs3)C(C)C)cc12 ZINC000159888358 455412382 /nfs/dbraw/zinc/41/23/82/455412382.db2.gz IFSXLGWXORFQCW-UHFFFAOYSA-N 1 0 329.473 3.186 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nccs1 ZINC000160811203 455500935 /nfs/dbraw/zinc/50/09/35/455500935.db2.gz MPQJWRBWJVAQHR-QWHCGFSZSA-N 1 0 341.440 3.007 10 70 EGIERO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000160948155 455516455 /nfs/dbraw/zinc/51/64/55/455516455.db2.gz OCBMWOUCLDPHIC-RTBURBONSA-N 1 0 329.488 3.306 10 70 EGIERO Cc1ccc([C@@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 ZINC000161029482 455524949 /nfs/dbraw/zinc/52/49/49/455524949.db2.gz UWLIMGHTCJXGII-SFHVURJKSA-N 1 0 348.487 3.246 10 70 EGIERO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CC[NH+]2CCCCC2)C1 ZINC000161147589 455539752 /nfs/dbraw/zinc/53/97/52/455539752.db2.gz GFFQYXFMKGBMTR-DLBZAZTESA-N 1 0 342.405 3.299 10 70 EGIERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000161263606 455553551 /nfs/dbraw/zinc/55/35/51/455553551.db2.gz LHJHBOLMYBMHTD-MRXNPFEDSA-N 1 0 344.503 3.439 10 70 EGIERO NC(=O)N1CCC([NH2+]CC2(Sc3ccccc3)CCCC2)CC1 ZINC000160349759 534376291 /nfs/dbraw/zinc/37/62/91/534376291.db2.gz NQPQDVUEDMAXQZ-UHFFFAOYSA-N 1 0 333.501 3.224 10 70 EGIERO C[NH+](C)CCCOC1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159832981 535838474 /nfs/dbraw/zinc/83/84/74/535838474.db2.gz YPDPNUNXJATPHB-UHFFFAOYSA-N 1 0 349.425 3.450 10 70 EGIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1OC(F)(F)F ZINC000159482741 533382277 /nfs/dbraw/zinc/38/22/77/533382277.db2.gz NTIMLILDFQTSLV-GFCCVEGCSA-N 1 0 330.350 3.248 10 70 EGIERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159479389 225224489 /nfs/dbraw/zinc/22/44/89/225224489.db2.gz WZWLDDNZYRWEIP-ZDUSSCGKSA-N 1 0 326.387 3.260 10 70 EGIERO Brc1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000217345211 266194593 /nfs/dbraw/zinc/19/45/93/266194593.db2.gz FKZMDOXRHTUKTJ-HZPDHXFCSA-N 1 0 340.261 3.471 10 70 EGIERO Brc1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000217346289 266194749 /nfs/dbraw/zinc/19/47/49/266194749.db2.gz MVAVUTUDNGSJEX-HZPDHXFCSA-N 1 0 340.261 3.471 10 70 EGIERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160840020 275196207 /nfs/dbraw/zinc/19/62/07/275196207.db2.gz KCDAAJWBSOQCAQ-CVEARBPZSA-N 1 0 328.460 3.218 10 70 EGIERO CCc1oc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1C ZINC000159646451 307876981 /nfs/dbraw/zinc/87/69/81/307876981.db2.gz ADLBXHIDGUOSNB-MRXNPFEDSA-N 1 0 330.428 3.192 10 70 EGIERO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCC1=CCCC1 ZINC000160320411 307887937 /nfs/dbraw/zinc/88/79/37/307887937.db2.gz XPOYCTXMRCOFJJ-UHFFFAOYSA-N 1 0 341.499 3.205 10 70 EGIERO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000160423990 307889601 /nfs/dbraw/zinc/88/96/01/307889601.db2.gz DTKYAGDAUOOMJB-INIZCTEOSA-N 1 0 332.488 3.207 10 70 EGIERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(OC)c1 ZINC000161185530 307899850 /nfs/dbraw/zinc/89/98/50/307899850.db2.gz WVHNHJXBBCOHCC-KXBFYZLASA-N 1 0 326.440 3.441 10 70 EGIERO CC[N@@H+]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000159513811 455382146 /nfs/dbraw/zinc/38/21/46/455382146.db2.gz IVICANSJZJADJV-UHFFFAOYSA-N 1 0 330.259 3.231 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000160179996 455435095 /nfs/dbraw/zinc/43/50/95/455435095.db2.gz HDASZOFZSRSKRA-UHFFFAOYSA-N 1 0 333.451 3.014 10 70 EGIERO O=C(c1ccc(C2SCCS2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160341778 455449360 /nfs/dbraw/zinc/44/93/60/455449360.db2.gz CIXWSOORWRAFQU-GASCZTMLSA-N 1 0 334.510 3.132 10 70 EGIERO COCCC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC1 ZINC000159853418 455410696 /nfs/dbraw/zinc/41/06/96/455410696.db2.gz RHAXVGFTBLAJBY-UHFFFAOYSA-N 1 0 344.499 3.496 10 70 EGIERO COc1ccc(NC(=O)CC[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159902873 455414557 /nfs/dbraw/zinc/41/45/57/455414557.db2.gz BUUMMSOETYBHDA-UHFFFAOYSA-N 1 0 347.484 3.433 10 70 EGIERO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160122760 455430763 /nfs/dbraw/zinc/43/07/63/455430763.db2.gz ZRWQKNOOKXIDNJ-KGLIPLIRSA-N 1 0 335.883 3.302 10 70 EGIERO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160780729 455497981 /nfs/dbraw/zinc/49/79/81/455497981.db2.gz PFRSLNVCTFKQII-SQGPQFPESA-N 1 0 330.472 3.257 10 70 EGIERO CC(C)[C@@H](O)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000161001470 455522659 /nfs/dbraw/zinc/52/26/59/455522659.db2.gz PJYOKXVDFHJYSQ-KRWDZBQOSA-N 1 0 329.444 3.282 10 70 EGIERO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161111812 455534594 /nfs/dbraw/zinc/53/45/94/455534594.db2.gz BJQORJGZKLEJDA-SQGPQFPESA-N 1 0 330.472 3.257 10 70 EGIERO Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)c(Br)c1 ZINC000161130966 455538341 /nfs/dbraw/zinc/53/83/41/455538341.db2.gz NASYFHVSMNIMTG-CYBMUJFWSA-N 1 0 337.261 3.068 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000161419392 455568929 /nfs/dbraw/zinc/56/89/29/455568929.db2.gz OCUPBWVLKXXQGY-CQSZACIVSA-N 1 0 334.464 3.409 10 70 EGIERO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1OC ZINC000161288572 546954427 /nfs/dbraw/zinc/95/44/27/546954427.db2.gz DHUGFYKBMHKZNT-HNNXBMFYSA-N 1 0 330.428 3.275 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160104019 225339384 /nfs/dbraw/zinc/33/93/84/225339384.db2.gz KVZFOXVGANBXBJ-QGZVFWFLSA-N 1 0 328.460 3.119 10 70 EGIERO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160419392 307889546 /nfs/dbraw/zinc/88/95/46/307889546.db2.gz JAISDEVCRLJEGR-OAHLLOKOSA-N 1 0 326.440 3.157 10 70 EGIERO C[C@H]1C[N@@H+](C2CCN(C(=O)CC/C=C/c3ccccc3)CC2)CCO1 ZINC000159540370 455384492 /nfs/dbraw/zinc/38/44/92/455384492.db2.gz AAHCNMJKZZBMGH-YXOJNZSOSA-N 1 0 342.483 3.192 10 70 EGIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OCCC(C)C ZINC000159620338 455390538 /nfs/dbraw/zinc/39/05/38/455390538.db2.gz SOJZDFOTHBAUNH-NVXWUHKLSA-N 1 0 348.487 3.206 10 70 EGIERO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000159803941 455405061 /nfs/dbraw/zinc/40/50/61/455405061.db2.gz DWFOVJPASOEDGG-CQSZACIVSA-N 1 0 325.391 3.085 10 70 EGIERO CN(CC[N@H+](C)Cc1ccc([S@](C)=O)cc1)Cc1ccc(F)cc1 ZINC000160043207 455424425 /nfs/dbraw/zinc/42/44/25/455424425.db2.gz WUPJJQWBYFBMTF-XMMPIXPASA-N 1 0 348.487 3.127 10 70 EGIERO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H]1COc2ccccc21 ZINC000160372767 455452277 /nfs/dbraw/zinc/45/22/77/455452277.db2.gz IYWBBZLGULDUAH-CRAIPNDOSA-N 1 0 345.487 3.115 10 70 EGIERO CC[N@H+](C)[C@@H](C(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000160390102 455454200 /nfs/dbraw/zinc/45/42/00/455454200.db2.gz VEBBPZKNPNWJPD-LJQANCHMSA-N 1 0 336.439 3.181 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000160504335 455467728 /nfs/dbraw/zinc/46/77/28/455467728.db2.gz HLNJVRFZROIPET-UHFFFAOYSA-N 1 0 329.366 3.346 10 70 EGIERO CCc1nccn1[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159463903 455378003 /nfs/dbraw/zinc/37/80/03/455378003.db2.gz RIODCYAXOSGGTB-IBGZPJMESA-N 1 0 344.478 3.354 10 70 EGIERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159631679 455391053 /nfs/dbraw/zinc/39/10/53/455391053.db2.gz AYVBHKOXZCLYEG-BEFAXECRSA-N 1 0 341.499 3.484 10 70 EGIERO CC1(C)CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159631769 455391156 /nfs/dbraw/zinc/39/11/56/455391156.db2.gz AYVBHKOXZCLYEG-DNVCBOLYSA-N 1 0 341.499 3.484 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000159812920 455405633 /nfs/dbraw/zinc/40/56/33/455405633.db2.gz QGHQTDBXNUHQIG-AWEZNQCLSA-N 1 0 349.475 3.413 10 70 EGIERO Cc1nc(-c2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)cs1 ZINC000159911192 455414157 /nfs/dbraw/zinc/41/41/57/455414157.db2.gz IXHHREDJMCUCKO-IYBDPMFKSA-N 1 0 327.453 3.085 10 70 EGIERO COc1ccccc1NC(=O)CN(CCc1nccs1)C(C)C ZINC000159928194 455416917 /nfs/dbraw/zinc/41/69/17/455416917.db2.gz ZTLNATBGOGMPKM-UHFFFAOYSA-N 1 0 333.457 3.043 10 70 EGIERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)C2CCOCC2)cc1 ZINC000160314971 455447571 /nfs/dbraw/zinc/44/75/71/455447571.db2.gz XZVDBESFAHGGLX-INIZCTEOSA-N 1 0 332.488 3.207 10 70 EGIERO COc1cccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160548255 455472689 /nfs/dbraw/zinc/47/26/89/455472689.db2.gz DHICODRWOMJQAU-SJLPKXTDSA-N 1 0 332.488 3.425 10 70 EGIERO O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160574734 455475263 /nfs/dbraw/zinc/47/52/63/455475263.db2.gz BUUUJPVDSAMXIO-GASCZTMLSA-N 1 0 339.414 3.218 10 70 EGIERO CCS[C@H]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000160742651 455494380 /nfs/dbraw/zinc/49/43/80/455494380.db2.gz KBPVGFWWYROJSM-GQGLESIBSA-N 1 0 341.565 3.470 10 70 EGIERO CC(C)CN(C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCc2cccnc21 ZINC000161231376 455550457 /nfs/dbraw/zinc/55/04/57/455550457.db2.gz ZUBGIPYMJGXDLT-GOSISDBHSA-N 1 0 344.503 3.221 10 70 EGIERO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(Sc2ccccc2)CC1 ZINC000217075757 456031239 /nfs/dbraw/zinc/03/12/39/456031239.db2.gz ZXFILPZVNJYYPS-OAHLLOKOSA-N 1 0 335.517 3.341 10 70 EGIERO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000161425554 225625520 /nfs/dbraw/zinc/62/55/20/225625520.db2.gz NCOOHVZVHVYHNB-HNNXBMFYSA-N 1 0 345.464 3.322 10 70 EGIERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N1CCCCCC1 ZINC000160838513 275196224 /nfs/dbraw/zinc/19/62/24/275196224.db2.gz IQFYJLWQKXZBAD-IAGOWNOFSA-N 1 0 340.471 3.314 10 70 EGIERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160873373 275957638 /nfs/dbraw/zinc/95/76/38/275957638.db2.gz BDAUJXDCRDDMSO-CABCVRRESA-N 1 0 328.460 3.216 10 70 EGIERO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224520 278374433 /nfs/dbraw/zinc/37/44/33/278374433.db2.gz SZAMMEZPRODHGJ-QMTHXVAHSA-N 1 0 336.233 3.357 10 70 EGIERO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000159403571 455375265 /nfs/dbraw/zinc/37/52/65/455375265.db2.gz AHLLYLKCXIGOEB-KXBFYZLASA-N 1 0 336.476 3.189 10 70 EGIERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000159804101 455405887 /nfs/dbraw/zinc/40/58/87/455405887.db2.gz VHUVFCWZRJGQOX-QAPCUYQASA-N 1 0 329.488 3.341 10 70 EGIERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159842025 455409428 /nfs/dbraw/zinc/40/94/28/455409428.db2.gz PCSNEEBLTFGXBA-DLBZAZTESA-N 1 0 339.483 3.450 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000159878363 455412730 /nfs/dbraw/zinc/41/27/30/455412730.db2.gz YSXJRSXRHRRBCR-HOTGVXAUSA-N 1 0 337.533 3.433 10 70 EGIERO COC[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000161231306 455550479 /nfs/dbraw/zinc/55/04/79/455550479.db2.gz KLGVYXCHCWLUOI-UONOGXRCSA-N 1 0 326.234 3.287 10 70 EGIERO C[N@H+](CCNC(=O)Cc1c[nH]c2cc(F)ccc12)C1CCCCC1 ZINC000161297588 455556293 /nfs/dbraw/zinc/55/62/93/455556293.db2.gz PMGQMGNHHHXJNR-UHFFFAOYSA-N 1 0 331.435 3.230 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2NC(=O)C(C)(C)C)C1 ZINC000161303366 455557302 /nfs/dbraw/zinc/55/73/02/455557302.db2.gz XXBGTKKOWYPIFH-PBHICJAKSA-N 1 0 345.487 3.130 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000161419532 455568964 /nfs/dbraw/zinc/56/89/64/455568964.db2.gz OCUPBWVLKXXQGY-AWEZNQCLSA-N 1 0 334.464 3.409 10 70 EGIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000159436821 528608973 /nfs/dbraw/zinc/60/89/73/528608973.db2.gz MFNNNRHISGBEPI-INIZCTEOSA-N 1 0 334.485 3.064 10 70 EGIERO Cc1cccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160771009 546949612 /nfs/dbraw/zinc/94/96/12/546949612.db2.gz YPULJQGNFWZQIT-VQIMIIECSA-N 1 0 327.428 3.172 10 70 EGIERO CC[C@H](O)c1cc2n(n1)CCC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC000217159193 241238013 /nfs/dbraw/zinc/23/80/13/241238013.db2.gz KULDHTMGCYYQNH-FQEVSTJZSA-N 1 0 338.455 3.256 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160104144 225338606 /nfs/dbraw/zinc/33/86/06/225338606.db2.gz KVZFOXVGANBXBJ-KRWDZBQOSA-N 1 0 328.460 3.119 10 70 EGIERO Cc1ccc2oc(N3CCN(CCC[NH+]4CCCCC4)CC3)nc2c1 ZINC000160945156 264886201 /nfs/dbraw/zinc/88/62/01/264886201.db2.gz XATBVVPODCIWDY-UHFFFAOYSA-N 1 0 342.487 3.134 10 70 EGIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)cc1Br ZINC000161177930 276181597 /nfs/dbraw/zinc/18/15/97/276181597.db2.gz OWUDQEYYDIKLJB-ZDUSSCGKSA-N 1 0 339.277 3.314 10 70 EGIERO CCC[C@H](C(=O)Nc1nc(CN2CCC(C)CC2)cs1)[NH+](C)C ZINC000159496813 307874983 /nfs/dbraw/zinc/87/49/83/307874983.db2.gz GZBIVFFJMAYOEL-OAHLLOKOSA-N 1 0 338.521 3.044 10 70 EGIERO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000159956786 307882817 /nfs/dbraw/zinc/88/28/17/307882817.db2.gz DESUSDIUETZZEF-SJORKVTESA-N 1 0 329.488 3.470 10 70 EGIERO CC(C)[C@@H](O)CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000160048799 307883928 /nfs/dbraw/zinc/88/39/28/307883928.db2.gz WXFQBIUVMCNGJG-AEFFLSMTSA-N 1 0 332.488 3.173 10 70 EGIERO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000160386591 307889099 /nfs/dbraw/zinc/88/90/99/307889099.db2.gz UYRXLTFLSOYDJO-HOCLYGCPSA-N 1 0 336.501 3.064 10 70 EGIERO CCC[C@H](C(=O)N[C@@H](C)c1ccccc1Br)[NH+](C)C ZINC000161242884 307900796 /nfs/dbraw/zinc/90/07/96/307900796.db2.gz NGWLGWYXRWOTPF-SMDDNHRTSA-N 1 0 327.266 3.357 10 70 EGIERO CCCCCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159619649 455390370 /nfs/dbraw/zinc/39/03/70/455390370.db2.gz ZNGXPTXMNLFXQD-RDJZCZTQSA-N 1 0 348.487 3.350 10 70 EGIERO CCOC(=O)CCCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159463651 455378503 /nfs/dbraw/zinc/37/85/03/455378503.db2.gz YHJBVRFFTVRHAB-INIZCTEOSA-N 1 0 336.451 3.238 10 70 EGIERO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OCC(C)C ZINC000159695898 455396330 /nfs/dbraw/zinc/39/63/30/455396330.db2.gz CJPOISWJCMYCGT-DOTOQJQBSA-N 1 0 348.487 3.206 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)Cc1ccccc1F ZINC000159820505 455406856 /nfs/dbraw/zinc/40/68/56/455406856.db2.gz OUWOJHNXNSKFJC-UHFFFAOYSA-N 1 0 349.475 3.194 10 70 EGIERO [NH3+]C[C@@H]1CCCN1C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000160297728 455446420 /nfs/dbraw/zinc/44/64/20/455446420.db2.gz WTDKRFNKIXVERJ-NRFANRHFSA-N 1 0 336.479 3.428 10 70 EGIERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3cc(C)c(C)cc31)CC2 ZINC000160447904 455459974 /nfs/dbraw/zinc/45/99/74/455459974.db2.gz RPYAICKSAYSACA-WBVHZDCISA-N 1 0 326.444 3.022 10 70 EGIERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000161050277 455528078 /nfs/dbraw/zinc/52/80/78/455528078.db2.gz BYNJWJGGHYXJLR-YLJYHZDGSA-N 1 0 341.455 3.296 10 70 EGIERO NC(=O)N1CCC([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000161239732 455551614 /nfs/dbraw/zinc/55/16/14/455551614.db2.gz FGELJCPVTFWYNF-IBGZPJMESA-N 1 0 337.467 3.146 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000161428064 455569916 /nfs/dbraw/zinc/56/99/16/455569916.db2.gz HVINJIAAXCCZRW-AWEZNQCLSA-N 1 0 349.276 3.440 10 70 EGIERO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161464097 535804594 /nfs/dbraw/zinc/80/45/94/535804594.db2.gz LAFZICFHYBOCMS-ZWKOTPCHSA-N 1 0 327.424 3.275 10 70 EGIERO CCS[C@H]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000160742904 264884197 /nfs/dbraw/zinc/88/41/97/264884197.db2.gz KBPVGFWWYROJSM-BACDZXNISA-N 1 0 341.565 3.470 10 70 EGIERO CCCC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000161081945 307898139 /nfs/dbraw/zinc/89/81/39/307898139.db2.gz NMGCIJFLQXDOFU-QGZVFWFLSA-N 1 0 348.487 3.379 10 70 EGIERO O=C(c1cc(Cl)ccc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160682443 455488055 /nfs/dbraw/zinc/48/80/55/455488055.db2.gz UYINBRYIUKIVDJ-PHIMTYICSA-N 1 0 343.652 3.069 10 70 EGIERO CCc1cccc2c(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c[nH]c21 ZINC000159370188 455372367 /nfs/dbraw/zinc/37/23/67/455372367.db2.gz YQNMTZDTOTUAIN-SNRMKQJTSA-N 1 0 339.483 3.310 10 70 EGIERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159912917 455414728 /nfs/dbraw/zinc/41/47/28/455414728.db2.gz IAAOLVAEJFJCGC-KRWDZBQOSA-N 1 0 348.512 3.453 10 70 EGIERO COC(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1C ZINC000160053298 455425293 /nfs/dbraw/zinc/42/52/93/455425293.db2.gz QAHVBDLNAUJBTD-UHFFFAOYSA-N 1 0 347.459 3.024 10 70 EGIERO COc1cccc(CCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000160082569 455427239 /nfs/dbraw/zinc/42/72/39/455427239.db2.gz RTHKEKXKIDZGKY-SFHVURJKSA-N 1 0 325.456 3.457 10 70 EGIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3ccc(Cl)cc31)CC2 ZINC000160320858 455447614 /nfs/dbraw/zinc/44/76/14/455447614.db2.gz VQCZHMKTSQCHHN-ZFWWWQNUSA-N 1 0 332.835 3.058 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160375323 455451998 /nfs/dbraw/zinc/45/19/98/455451998.db2.gz RQZLFJOCZIIKKK-OAGGEKHMSA-N 1 0 336.426 3.305 10 70 EGIERO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOCCOc2ccccc2)c1 ZINC000160720642 455490999 /nfs/dbraw/zinc/49/09/99/455490999.db2.gz BPTFVOXLGOVPMG-INIZCTEOSA-N 1 0 342.439 3.391 10 70 EGIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC[S@](=O)c1ccccc1 ZINC000160784305 455497683 /nfs/dbraw/zinc/49/76/83/455497683.db2.gz QITBPTWMQBEISX-LFVRLGFBSA-N 1 0 333.501 3.405 10 70 EGIERO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000161199783 455547336 /nfs/dbraw/zinc/54/73/36/455547336.db2.gz IHNRCMYWJQVRPN-GOEBONIOSA-N 1 0 336.426 3.447 10 70 EGIERO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161462888 455572326 /nfs/dbraw/zinc/57/23/26/455572326.db2.gz KRBDIXGOIDBMRI-APWZRJJASA-N 1 0 329.440 3.139 10 70 EGIERO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)O1 ZINC000160350825 535322305 /nfs/dbraw/zinc/32/23/05/535322305.db2.gz UEAWJQGIIJQAET-AWEZNQCLSA-N 1 0 340.261 3.431 10 70 EGIERO CC1CC[NH+](C[C@H](O)CNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000159406576 140937297 /nfs/dbraw/zinc/93/72/97/140937297.db2.gz IPMVRWKWGHFBTN-CQSZACIVSA-N 1 0 335.398 3.018 10 70 EGIERO COc1cccc(CCC[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000160092707 225335765 /nfs/dbraw/zinc/33/57/65/225335765.db2.gz FXJZXTIOMFLBRC-QGZVFWFLSA-N 1 0 329.444 3.274 10 70 EGIERO OCCCC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000159796978 275045796 /nfs/dbraw/zinc/04/57/96/275045796.db2.gz YPDPDEFAKOTUCW-UHFFFAOYSA-N 1 0 338.249 3.062 10 70 EGIERO CCN(Cc1ccccc1)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159751947 455400340 /nfs/dbraw/zinc/40/03/40/455400340.db2.gz MOUIKKPOMVBPBC-UHFFFAOYSA-N 1 0 345.512 3.445 10 70 EGIERO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159746615 455400815 /nfs/dbraw/zinc/40/08/15/455400815.db2.gz FJXBQHQOVBMFKX-OAHLLOKOSA-N 1 0 325.522 3.289 10 70 EGIERO CC(C)[N@H+](CCC(=O)NCC1CCCCC1)CCc1nccs1 ZINC000159941843 455417598 /nfs/dbraw/zinc/41/75/98/455417598.db2.gz IIXGWXMMQBIONR-UHFFFAOYSA-N 1 0 337.533 3.483 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000159425298 455376395 /nfs/dbraw/zinc/37/63/95/455376395.db2.gz WAFFTZPNZFFKPK-UHFFFAOYSA-N 1 0 339.509 3.078 10 70 EGIERO COc1ccc(C[N@H+](C)Cc2cc(OC)c3c(c2)OCCO3)cc1 ZINC000159855212 455410319 /nfs/dbraw/zinc/41/03/19/455410319.db2.gz VYAMXNZEFKXQOX-UHFFFAOYSA-N 1 0 329.396 3.107 10 70 EGIERO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160538878 455471585 /nfs/dbraw/zinc/47/15/85/455471585.db2.gz CSCTYTYPWBGLKG-LJQANCHMSA-N 1 0 340.471 3.199 10 70 EGIERO Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)o1 ZINC000160875611 455507719 /nfs/dbraw/zinc/50/77/19/455507719.db2.gz PNOPPTVCDZCUFW-UHFFFAOYSA-N 1 0 339.395 3.381 10 70 EGIERO CCOc1c(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000161144165 455539461 /nfs/dbraw/zinc/53/94/61/455539461.db2.gz QRRGKQNKRMJQTR-SNVBAGLBSA-N 1 0 346.265 3.105 10 70 EGIERO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000161199552 455547798 /nfs/dbraw/zinc/54/77/98/455547798.db2.gz IHNRCMYWJQVRPN-GDBMZVCRSA-N 1 0 336.426 3.447 10 70 EGIERO CCC[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C ZINC000161219653 455549295 /nfs/dbraw/zinc/54/92/95/455549295.db2.gz UZOQHPSACGCSIB-AWEZNQCLSA-N 1 0 327.266 3.138 10 70 EGIERO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161249045 455552445 /nfs/dbraw/zinc/55/24/45/455552445.db2.gz KGTFBMWCIJXOTL-JKSUJKDBSA-N 1 0 342.405 3.446 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000161305155 455557534 /nfs/dbraw/zinc/55/75/34/455557534.db2.gz PSCNQZPOZMIYEB-AWEZNQCLSA-N 1 0 334.464 3.409 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000161425144 455569542 /nfs/dbraw/zinc/56/95/42/455569542.db2.gz PXYSBZALTZXLIY-AWEZNQCLSA-N 1 0 334.851 3.210 10 70 EGIERO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1OC ZINC000161433613 455570690 /nfs/dbraw/zinc/57/06/90/455570690.db2.gz GXGFNDVTTYPVCU-WBVHZDCISA-N 1 0 329.440 3.439 10 70 EGIERO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1OC ZINC000161288698 546954665 /nfs/dbraw/zinc/95/46/65/546954665.db2.gz DHUGFYKBMHKZNT-OAHLLOKOSA-N 1 0 330.428 3.275 10 70 EGIERO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000159990027 307883491 /nfs/dbraw/zinc/88/34/91/307883491.db2.gz ZMIRCXDXTNRXPS-WYMLVPIESA-N 1 0 344.908 3.005 10 70 EGIERO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000159512142 455381644 /nfs/dbraw/zinc/38/16/44/455381644.db2.gz KTUIAPQYIMVCSV-UHFFFAOYSA-N 1 0 326.440 3.252 10 70 EGIERO CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1N(C)C ZINC000159837541 455407698 /nfs/dbraw/zinc/40/76/98/455407698.db2.gz AZMNLLXGCLQEEV-SFHVURJKSA-N 1 0 325.456 3.279 10 70 EGIERO Clc1ccc(C2=NO[C@@H](C[N@H+](C[C@@H]3CCOC3)C3CC3)C2)cc1 ZINC000159745260 455400530 /nfs/dbraw/zinc/40/05/30/455400530.db2.gz UBHBPYNCTVPXPW-SUMWQHHRSA-N 1 0 334.847 3.334 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160375179 455452158 /nfs/dbraw/zinc/45/21/58/455452158.db2.gz RQZLFJOCZIIKKK-BZUAXINKSA-N 1 0 336.426 3.305 10 70 EGIERO Cc1cccc2c1ncnc2N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160471260 455463435 /nfs/dbraw/zinc/46/34/35/455463435.db2.gz CFLQNORCQCYLSF-BBWFWOEESA-N 1 0 340.471 3.016 10 70 EGIERO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1Cl ZINC000160575607 455475288 /nfs/dbraw/zinc/47/52/88/455475288.db2.gz QOKNKLZVELBRIC-XNJGSVPQSA-N 1 0 334.851 3.122 10 70 EGIERO C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000160744812 455494180 /nfs/dbraw/zinc/49/41/80/455494180.db2.gz YNYNXKZCYMDGHR-INIZCTEOSA-N 1 0 343.423 3.204 10 70 EGIERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160860318 455506147 /nfs/dbraw/zinc/50/61/47/455506147.db2.gz BPXPYWBBIRSHAL-HRCADAONSA-N 1 0 328.460 3.216 10 70 EGIERO COC(=O)COc1c(C)cc(C[N@H+](C)Cc2ccc(C)o2)cc1C ZINC000160877718 455507560 /nfs/dbraw/zinc/50/75/60/455507560.db2.gz ANSUFXNQVVLUCD-UHFFFAOYSA-N 1 0 331.412 3.389 10 70 EGIERO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000161055106 455527820 /nfs/dbraw/zinc/52/78/20/455527820.db2.gz GTPBDONQCSILFM-DNVCBOLYSA-N 1 0 342.439 3.126 10 70 EGIERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cncs1 ZINC000161058573 455528747 /nfs/dbraw/zinc/52/87/47/455528747.db2.gz CKGFAXRGNHUUBF-CQSZACIVSA-N 1 0 325.437 3.204 10 70 EGIERO CC[NH+](CC)CCNC(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000161118987 455535824 /nfs/dbraw/zinc/53/58/24/455535824.db2.gz ANQWJEQRCXMQAV-SFHVURJKSA-N 1 0 346.519 3.468 10 70 EGIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1Br ZINC000161177801 455544016 /nfs/dbraw/zinc/54/40/16/455544016.db2.gz OWUDQEYYDIKLJB-CYBMUJFWSA-N 1 0 339.277 3.314 10 70 EGIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000159730207 528898840 /nfs/dbraw/zinc/89/88/40/528898840.db2.gz ADZZXRDIVASTIR-OAHLLOKOSA-N 1 0 345.409 3.142 10 70 EGIERO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cccc(-n2cnnn2)c1 ZINC000159744574 546941450 /nfs/dbraw/zinc/94/14/50/546941450.db2.gz BIEWTKJAQWADEY-CQSZACIVSA-N 1 0 325.391 3.085 10 70 EGIERO O=C1CCCN1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000159481225 284788629 /nfs/dbraw/zinc/78/86/29/284788629.db2.gz PIEVHPVOYKPKSM-HNNXBMFYSA-N 1 0 337.261 3.039 10 70 EGIERO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000159715024 225265073 /nfs/dbraw/zinc/26/50/73/225265073.db2.gz GSJYJUIEVNJJMN-SJORKVTESA-N 1 0 344.405 3.446 10 70 EGIERO O=C1CCCN1CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159585820 225245170 /nfs/dbraw/zinc/24/51/70/225245170.db2.gz KWYUFCAJKQYTEG-HNNXBMFYSA-N 1 0 342.361 3.175 10 70 EGIERO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000160948550 307896420 /nfs/dbraw/zinc/89/64/20/307896420.db2.gz OCBMWOUCLDPHIC-OALUTQOASA-N 1 0 329.488 3.306 10 70 EGIERO COc1ccc(C[C@H](C)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000160656888 455484936 /nfs/dbraw/zinc/48/49/36/455484936.db2.gz VKLUCCIWMKNVPN-INIZCTEOSA-N 1 0 332.488 3.255 10 70 EGIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159893930 455413488 /nfs/dbraw/zinc/41/34/88/455413488.db2.gz BEJXYYWMKGRIHA-ZDUSSCGKSA-N 1 0 333.863 3.354 10 70 EGIERO COc1c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c(C)nn1C ZINC000161060909 455529027 /nfs/dbraw/zinc/52/90/27/455529027.db2.gz DNNISIKABPRCCJ-UHFFFAOYSA-N 1 0 340.427 3.258 10 70 EGIERO COc1ccc(-c2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000161264696 455553653 /nfs/dbraw/zinc/55/36/53/455553653.db2.gz FCJNOYWQLABQGP-OALUTQOASA-N 1 0 338.451 3.496 10 70 EGIERO c1ccc(CN2CCCC[C@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161380607 455564529 /nfs/dbraw/zinc/56/45/29/455564529.db2.gz YVVBOPZRDACOLO-FQEVSTJZSA-N 1 0 344.499 3.316 10 70 EGIERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(SC)cc1 ZINC000217184904 456031771 /nfs/dbraw/zinc/03/17/71/456031771.db2.gz PYVFNULGFKCJPZ-INIZCTEOSA-N 1 0 335.517 3.472 10 70 EGIERO CC(C)CCn1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000160383901 546946979 /nfs/dbraw/zinc/94/69/79/546946979.db2.gz LMLCMTYLBFCNDC-SJORKVTESA-N 1 0 347.507 3.408 10 70 EGIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccn2)s1 ZINC000160549466 546947918 /nfs/dbraw/zinc/94/79/18/546947918.db2.gz VEMAOIVIVZBVPI-CQSZACIVSA-N 1 0 344.484 3.055 10 70 EGIERO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161359943 546955000 /nfs/dbraw/zinc/95/50/00/546955000.db2.gz FMFWYCLFIJWTFH-HNNXBMFYSA-N 1 0 335.411 3.015 10 70 EGIERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccc2C)ncn1 ZINC000159708545 140944403 /nfs/dbraw/zinc/94/44/03/140944403.db2.gz IWBYGMMVPHKGMX-HOTGVXAUSA-N 1 0 325.460 3.146 10 70 EGIERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160137569 225346898 /nfs/dbraw/zinc/34/68/98/225346898.db2.gz CRACYRFCUQAKDM-LBPRGKRZSA-N 1 0 331.847 3.344 10 70 EGIERO C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176362 266194734 /nfs/dbraw/zinc/19/47/34/266194734.db2.gz PDEIMXFCTPGXTG-STQMWFEESA-N 1 0 325.478 3.268 10 70 EGIERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CCCCC1 ZINC000160799267 278364803 /nfs/dbraw/zinc/36/48/03/278364803.db2.gz FPDKATXGLAQHSF-JKSUJKDBSA-N 1 0 340.471 3.360 10 70 EGIERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCOC1 ZINC000161126872 307899061 /nfs/dbraw/zinc/89/90/61/307899061.db2.gz XMNNGKJQAHAESG-KHYOSLBOSA-N 1 0 338.442 3.334 10 70 EGIERO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000159803966 455405170 /nfs/dbraw/zinc/40/51/70/455405170.db2.gz VHUVFCWZRJGQOX-MAUKXSAKSA-N 1 0 329.488 3.341 10 70 EGIERO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000159956916 455418778 /nfs/dbraw/zinc/41/87/78/455418778.db2.gz DESUSDIUETZZEF-IRXDYDNUSA-N 1 0 329.488 3.470 10 70 EGIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000159638715 455391149 /nfs/dbraw/zinc/39/11/49/455391149.db2.gz NLALGRXOIMHRHZ-UHFFFAOYSA-N 1 0 333.480 3.016 10 70 EGIERO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159950708 455418535 /nfs/dbraw/zinc/41/85/35/455418535.db2.gz HXRGAWHLRJHSEX-JKSUJKDBSA-N 1 0 349.438 3.254 10 70 EGIERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000160557690 455473829 /nfs/dbraw/zinc/47/38/29/455473829.db2.gz OCAAXWWTCSLLGK-QGZVFWFLSA-N 1 0 331.460 3.314 10 70 EGIERO CCn1cc(C2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cn1 ZINC000160636329 455482874 /nfs/dbraw/zinc/48/28/74/455482874.db2.gz XMQMYXJKCSQBBC-UHFFFAOYSA-N 1 0 344.434 3.250 10 70 EGIERO Cn1nccc1C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160652080 455484370 /nfs/dbraw/zinc/48/43/70/455484370.db2.gz GFUPIDIQRVQYFH-UHFFFAOYSA-N 1 0 347.846 3.224 10 70 EGIERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)n1 ZINC000160806424 455501013 /nfs/dbraw/zinc/50/10/13/455501013.db2.gz HQFDZCDJAWLPIV-NPMABZOXSA-N 1 0 335.473 3.214 10 70 EGIERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160809657 455501201 /nfs/dbraw/zinc/50/12/01/455501201.db2.gz BSNUWPHRIDQWAE-HUUCEWRRSA-N 1 0 328.460 3.216 10 70 EGIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000161344251 455560731 /nfs/dbraw/zinc/56/07/31/455560731.db2.gz GDFAPBRWGONDCN-AWEZNQCLSA-N 1 0 336.386 3.279 10 70 EGIERO CN(C(=O)COc1cc(Cl)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161394029 455566020 /nfs/dbraw/zinc/56/60/20/455566020.db2.gz PFHKVQSGCZFBNI-PBWFPOADSA-N 1 0 343.254 3.114 10 70 EGIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000161425008 455569382 /nfs/dbraw/zinc/56/93/82/455569382.db2.gz PXYSBZALTZXLIY-CQSZACIVSA-N 1 0 334.851 3.210 10 70 EGIERO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000161437497 455570651 /nfs/dbraw/zinc/57/06/51/455570651.db2.gz FORLYHRQHFBCQD-QAPCUYQASA-N 1 0 340.423 3.070 10 70 EGIERO CN(C(=O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161444920 455571282 /nfs/dbraw/zinc/57/12/82/455571282.db2.gz RRHCXEGURLZCPC-FUNVUKJBSA-N 1 0 343.254 3.114 10 70 EGIERO CC1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000159748404 528268814 /nfs/dbraw/zinc/26/88/14/528268814.db2.gz PMBHPNIYLVXQLI-GOSISDBHSA-N 1 0 330.476 3.091 10 70 EGIERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000160854885 546950779 /nfs/dbraw/zinc/95/07/79/546950779.db2.gz ZBAPZOOTTVJIHD-UHFFFAOYSA-N 1 0 340.373 3.465 10 70 EGIERO CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1c(C)noc1C ZINC000161352338 546954639 /nfs/dbraw/zinc/95/46/39/546954639.db2.gz KDRNSOUYMVQKFG-IAGOWNOFSA-N 1 0 344.459 3.345 10 70 EGIERO COc1cc(OC)c([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000159563640 533059240 /nfs/dbraw/zinc/05/92/40/533059240.db2.gz PKBZGPYVGRCKHD-GFCCVEGCSA-N 1 0 340.851 3.020 10 70 EGIERO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000160122863 140953696 /nfs/dbraw/zinc/95/36/96/140953696.db2.gz ZRWQKNOOKXIDNJ-KBPBESRZSA-N 1 0 335.883 3.302 10 70 EGIERO Brc1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217346372 266194792 /nfs/dbraw/zinc/19/47/92/266194792.db2.gz MVAVUTUDNGSJEX-CVEARBPZSA-N 1 0 340.261 3.471 10 70 EGIERO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000159403812 307873322 /nfs/dbraw/zinc/87/33/22/307873322.db2.gz AHLLYLKCXIGOEB-BEFAXECRSA-N 1 0 336.476 3.189 10 70 EGIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160386302 455453723 /nfs/dbraw/zinc/45/37/23/455453723.db2.gz VMFSKCYSTOIYTK-CMPLNLGQSA-N 1 0 330.325 3.153 10 70 EGIERO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@](C)(O)CC ZINC000160425047 455457451 /nfs/dbraw/zinc/45/74/51/455457451.db2.gz HFKICODRBNSYKJ-HNNXBMFYSA-N 1 0 333.259 3.415 10 70 EGIERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160567392 455474846 /nfs/dbraw/zinc/47/48/46/455474846.db2.gz VOVSUSVGTQUIOK-NRFANRHFSA-N 1 0 340.442 3.435 10 70 EGIERO CCN(C(=O)c1ccc[nH]c1=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000160825899 455502379 /nfs/dbraw/zinc/50/23/79/455502379.db2.gz NJKHRCDBWRLZGI-RDJZCZTQSA-N 1 0 339.439 3.085 10 70 EGIERO Cc1cccc(CNC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159773485 455402769 /nfs/dbraw/zinc/40/27/69/455402769.db2.gz KLTHUEKDNOWANJ-UHFFFAOYSA-N 1 0 331.485 3.021 10 70 EGIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)Cc1cccs1 ZINC000159899483 455413387 /nfs/dbraw/zinc/41/33/87/455413387.db2.gz DDOWLZVHOIOJDP-UHFFFAOYSA-N 1 0 337.514 3.116 10 70 EGIERO Cc1cccc(-c2nc(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)c1 ZINC000159932362 455416823 /nfs/dbraw/zinc/41/68/23/455416823.db2.gz YJKOZRJGZMMJIV-IYBDPMFKSA-N 1 0 341.480 3.014 10 70 EGIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3cc(C)c(C)cc31)CC2 ZINC000160448176 455460461 /nfs/dbraw/zinc/46/04/61/455460461.db2.gz RPYAICKSAYSACA-RDJZCZTQSA-N 1 0 326.444 3.022 10 70 EGIERO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160593354 455478222 /nfs/dbraw/zinc/47/82/22/455478222.db2.gz DBSKXUNBVUKGNQ-KRWDZBQOSA-N 1 0 340.467 3.378 10 70 EGIERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160809410 455500982 /nfs/dbraw/zinc/50/09/82/455500982.db2.gz BSNUWPHRIDQWAE-LSDHHAIUSA-N 1 0 328.460 3.216 10 70 EGIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000161405763 455566802 /nfs/dbraw/zinc/56/68/02/455566802.db2.gz PWFKNGHOTQWCPO-BEFAXECRSA-N 1 0 339.439 3.332 10 70 EGIERO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc(Br)c1O ZINC000160470965 537706639 /nfs/dbraw/zinc/70/66/39/537706639.db2.gz WJCIHCVKZNXNDS-LLVKDONJSA-N 1 0 344.249 3.211 10 70 EGIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1Br ZINC000218297432 547240339 /nfs/dbraw/zinc/24/03/39/547240339.db2.gz BIRLOHDFOASJBK-CYZMBNFOSA-N 1 0 328.250 3.412 10 70 EGIERO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000161437762 533429265 /nfs/dbraw/zinc/42/92/65/533429265.db2.gz FORLYHRQHFBCQD-CRAIPNDOSA-N 1 0 340.423 3.070 10 70 EGIERO O=C(Cc1coc2ccc3ccccc3c12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159851437 307880870 /nfs/dbraw/zinc/88/08/70/307880870.db2.gz YWUXVXQKXHEZCH-CALCHBBNSA-N 1 0 334.419 3.481 10 70 EGIERO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442821 307902763 /nfs/dbraw/zinc/90/27/63/307902763.db2.gz RRGWQQFBVVNZQJ-YOEHRIQHSA-N 1 0 338.451 3.343 10 70 EGIERO COc1ccc2c(CC(=O)NCC[NH2+]C3CCCCCC3)coc2c1 ZINC000159672924 455394448 /nfs/dbraw/zinc/39/44/48/455394448.db2.gz NSXJYEAFUQFHMA-UHFFFAOYSA-N 1 0 344.455 3.413 10 70 EGIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000160567571 455475074 /nfs/dbraw/zinc/47/50/74/455475074.db2.gz ASULRNWOCNFQNG-KRWDZBQOSA-N 1 0 332.492 3.221 10 70 EGIERO Cc1cnn([C@@H]2CCC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)c1 ZINC000159467394 455378517 /nfs/dbraw/zinc/37/85/17/455378517.db2.gz FLNGQMRFEHQBRE-LJQANCHMSA-N 1 0 330.451 3.100 10 70 EGIERO CCC(CC)(C[NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)C(=O)OC ZINC000159686890 455395314 /nfs/dbraw/zinc/39/53/14/455395314.db2.gz QFJBJAIQEDVWCZ-UHFFFAOYSA-N 1 0 346.427 3.419 10 70 EGIERO CC1(C)CC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)O1 ZINC000160350706 455450997 /nfs/dbraw/zinc/45/09/97/455450997.db2.gz UEAWJQGIIJQAET-CQSZACIVSA-N 1 0 340.261 3.431 10 70 EGIERO COc1ccc(SCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160411684 455455922 /nfs/dbraw/zinc/45/59/22/455455922.db2.gz DOCUAXSTGHRAGV-OAHLLOKOSA-N 1 0 336.501 3.024 10 70 EGIERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000160987273 455521583 /nfs/dbraw/zinc/52/15/83/455521583.db2.gz ATNLXRPHOPESMF-WFASDCNBSA-N 1 0 339.277 3.153 10 70 EGIERO C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cnn(C)c1 ZINC000161121999 455537216 /nfs/dbraw/zinc/53/72/16/455537216.db2.gz LYQUPBPKNQGBFC-ZFWWWQNUSA-N 1 0 334.414 3.014 10 70 EGIERO