smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065624433 283362004 /nfs/dbraw/zinc/36/20/04/283362004.db2.gz CNZZINMNRFMICJ-MCIONIFRSA-N 2 1 340.468 0.652 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738447 203041895 /nfs/dbraw/zinc/04/18/95/203041895.db2.gz DIBJKSBMBZZDBP-WMZOPIPTSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738447 203041898 /nfs/dbraw/zinc/04/18/98/203041898.db2.gz DIBJKSBMBZZDBP-WMZOPIPTSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877131 203134052 /nfs/dbraw/zinc/13/40/52/203134052.db2.gz YHRAHFTZQUDUKJ-VQIMIIECSA-N 2 1 333.476 0.404 50 0 ECAAMP Cc1nc2c(c(NCC3(C[NH+]4CCOCC4)CC3)n1)CC[NH2+]CC2 ZINC000072423283 203219732 /nfs/dbraw/zinc/21/97/32/203219732.db2.gz BITUUDPCDOTVAI-UHFFFAOYSA-N 2 1 331.464 0.998 50 0 ECAAMP Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423190 203219779 /nfs/dbraw/zinc/21/97/79/203219779.db2.gz VIVQPDJMORYSCO-OAHLLOKOSA-N 2 1 348.495 0.579 50 0 ECAAMP Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423190 203219781 /nfs/dbraw/zinc/21/97/81/203219781.db2.gz VIVQPDJMORYSCO-OAHLLOKOSA-N 2 1 348.495 0.579 50 0 ECAAMP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420105 263177067 /nfs/dbraw/zinc/17/70/67/263177067.db2.gz RRJDWSAGFPZKDZ-RLFYNMQTSA-N 2 1 334.464 0.189 50 0 ECAAMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294430 436041757 /nfs/dbraw/zinc/04/17/57/436041757.db2.gz LSVRGRMGDVGTPW-OKILXGFUSA-N 2 1 336.480 0.623 50 0 ECAAMP C[C@@H]1CN(C(=O)C[NH+](C)C2CC2)[C@@H](C)CN1C(=O)C[N@H+](C)C1CC1 ZINC000072294430 436041759 /nfs/dbraw/zinc/04/17/59/436041759.db2.gz LSVRGRMGDVGTPW-OKILXGFUSA-N 2 1 336.480 0.623 50 0 ECAAMP C[C@@H]1CN(C(=O)C[NH+](C)C2CC2)[C@@H](C)CN1C(=O)C[N@@H+](C)C1CC1 ZINC000072294430 436041760 /nfs/dbraw/zinc/04/17/60/436041760.db2.gz LSVRGRMGDVGTPW-OKILXGFUSA-N 2 1 336.480 0.623 50 0 ECAAMP CC(C)C[N@@H+]1CCn2nc(CNC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082109420 436362278 /nfs/dbraw/zinc/36/22/78/436362278.db2.gz OQJOBRMVMCTOCJ-UHFFFAOYSA-N 2 1 334.468 0.812 50 0 ECAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082109420 436362283 /nfs/dbraw/zinc/36/22/83/436362283.db2.gz OQJOBRMVMCTOCJ-UHFFFAOYSA-N 2 1 334.468 0.812 50 0 ECAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(CO)o3)C[C@@H]2CO)CC1 ZINC000095379488 436491254 /nfs/dbraw/zinc/49/12/54/436491254.db2.gz VVDKLMXAMFJITH-HZPDHXFCSA-N 2 1 337.464 0.450 50 0 ECAAMP COC(=O)[C@@]12C[NH+](CC(C)(C)N3CCOCC3)C[C@@H]1C[N@@H+](C)C2 ZINC000063871656 436647380 /nfs/dbraw/zinc/64/73/80/436647380.db2.gz LOPYOYOILJWCML-YOEHRIQHSA-N 2 1 325.453 0.134 50 0 ECAAMP COC(=O)[C@@]12C[NH+](CC(C)(C)N3CCOCC3)C[C@@H]1C[N@H+](C)C2 ZINC000063871656 436647381 /nfs/dbraw/zinc/64/73/81/436647381.db2.gz LOPYOYOILJWCML-YOEHRIQHSA-N 2 1 325.453 0.134 50 0 ECAAMP COC(=O)[C@]12C[NH+](C)C[C@H]1C[N@H+](CC(C)(C)N1CCOCC1)C2 ZINC000063871656 436647382 /nfs/dbraw/zinc/64/73/82/436647382.db2.gz LOPYOYOILJWCML-YOEHRIQHSA-N 2 1 325.453 0.134 50 0 ECAAMP COC(=O)[C@]12C[NH+](C)C[C@H]1C[N@@H+](CC(C)(C)N1CCOCC1)C2 ZINC000063871656 436647383 /nfs/dbraw/zinc/64/73/83/436647383.db2.gz LOPYOYOILJWCML-YOEHRIQHSA-N 2 1 325.453 0.134 50 0 ECAAMP CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069456188 203003052 /nfs/dbraw/zinc/00/30/52/203003052.db2.gz CBBIKYHCPLOWOH-KBPBESRZSA-N 2 1 340.468 0.653 50 0 ECAAMP Cc1cc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n(C)n1 ZINC000069778634 203050682 /nfs/dbraw/zinc/05/06/82/203050682.db2.gz GJQCGKPQAZZTFR-CQSZACIVSA-N 2 1 337.468 0.692 50 0 ECAAMP COCC[N@H+]1CC[C@@H](CN(C)c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072421649 203220625 /nfs/dbraw/zinc/22/06/25/203220625.db2.gz ZYASCWGGZTXQTP-ZDUSSCGKSA-N 2 1 334.468 0.152 50 0 ECAAMP C[NH+]1CCC(N2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000216026369 258072234 /nfs/dbraw/zinc/07/22/34/258072234.db2.gz DDGQQZOKMBGESS-UHFFFAOYSA-N 2 1 346.475 0.763 50 0 ECAAMP C[C@H](CCN1CCCC1=O)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416666 289481621 /nfs/dbraw/zinc/48/16/21/289481621.db2.gz OEKAZFBPAKCLTH-OAHLLOKOSA-N 2 1 346.479 0.719 50 0 ECAAMP C[NH+](C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C[C@@H]1CO ZINC000091604247 436454781 /nfs/dbraw/zinc/45/47/81/436454781.db2.gz FEMGOOUKIMSBFR-IAGOWNOFSA-N 2 1 346.475 0.788 50 0 ECAAMP Cc1c(C[NH2+][C@H]2CCS(=O)(=O)C2)cnn1CC[NH+]1CCCCC1 ZINC000065405899 436660180 /nfs/dbraw/zinc/66/01/80/436660180.db2.gz KDEWNFMGPKEWJO-INIZCTEOSA-N 2 1 340.493 0.954 50 0 ECAAMP OCC[N@@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257188940 436856650 /nfs/dbraw/zinc/85/66/50/436856650.db2.gz NFQIBTBSUMEVIT-MRXNPFEDSA-N 2 1 342.447 0.513 50 0 ECAAMP OCC[NH+]1CCc2nnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2CC1 ZINC000257188940 436856655 /nfs/dbraw/zinc/85/66/55/436856655.db2.gz NFQIBTBSUMEVIT-MRXNPFEDSA-N 2 1 342.447 0.513 50 0 ECAAMP OCC[NH+]1CCc2nnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257188940 436856657 /nfs/dbraw/zinc/85/66/57/436856657.db2.gz NFQIBTBSUMEVIT-MRXNPFEDSA-N 2 1 342.447 0.513 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000252474313 436832302 /nfs/dbraw/zinc/83/23/02/436832302.db2.gz AUDGEQSLMUPVLK-ICUGJSFKSA-N 2 1 343.512 0.234 50 0 ECAAMP COc1cccc(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1OCCC[NH3+] ZINC000426527692 438066496 /nfs/dbraw/zinc/06/64/96/438066496.db2.gz GGKHOZQCCFNEJM-OLZOCXBDSA-N 2 1 337.420 0.218 50 0 ECAAMP O[C@]1(C[NH+]2CCOCC2)C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000019773667 202019173 /nfs/dbraw/zinc/01/91/73/202019173.db2.gz FYLCLHXIPKWGMC-SOAGJPPSSA-N 2 1 343.471 0.249 50 0 ECAAMP CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071764431 203111014 /nfs/dbraw/zinc/11/10/14/203111014.db2.gz QWVYUQQTPGOQNH-MRXNPFEDSA-N 2 1 336.480 0.483 50 0 ECAAMP CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071764431 203111016 /nfs/dbraw/zinc/11/10/16/203111016.db2.gz QWVYUQQTPGOQNH-MRXNPFEDSA-N 2 1 336.480 0.483 50 0 ECAAMP O=C(C[NH2+]CCn1cccn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071879164 203133802 /nfs/dbraw/zinc/13/38/02/203133802.db2.gz AGAUTBVJZQOUIO-KRWDZBQOSA-N 2 1 327.432 0.863 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384192 204006657 /nfs/dbraw/zinc/00/66/57/204006657.db2.gz SXMHHHIMAGUAEI-IRXDYDNUSA-N 2 1 336.480 0.999 50 0 ECAAMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)[C@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294429 436042114 /nfs/dbraw/zinc/04/21/14/436042114.db2.gz LSVRGRMGDVGTPW-ZIAGYGMSSA-N 2 1 336.480 0.623 50 0 ECAAMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000074171072 202373362 /nfs/dbraw/zinc/37/33/62/202373362.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000074171072 202373364 /nfs/dbraw/zinc/37/33/64/202373364.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000074171072 202373366 /nfs/dbraw/zinc/37/33/66/202373366.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 2 1 325.501 0.606 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)CCO1 ZINC000277622181 201303107 /nfs/dbraw/zinc/30/31/07/201303107.db2.gz RAXVADJQQWSUBX-XOKHGSTOSA-N 2 1 333.432 0.246 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)CCO1 ZINC000277622181 201303111 /nfs/dbraw/zinc/30/31/11/201303111.db2.gz RAXVADJQQWSUBX-XOKHGSTOSA-N 2 1 333.432 0.246 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000330031995 201363769 /nfs/dbraw/zinc/36/37/69/201363769.db2.gz GZHJJUZDEYFBBI-UHFFFAOYSA-N 2 1 325.453 0.626 50 0 ECAAMP COCc1nc(NCCC[NH+]2CCOCC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244647045 243049358 /nfs/dbraw/zinc/04/93/58/243049358.db2.gz GUDLPANXSDMCLJ-OKILXGFUSA-N 2 1 335.452 0.962 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738445 203042219 /nfs/dbraw/zinc/04/22/19/203042219.db2.gz DIBJKSBMBZZDBP-FUHWJXTLSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738445 203042223 /nfs/dbraw/zinc/04/22/23/203042223.db2.gz DIBJKSBMBZZDBP-FUHWJXTLSA-N 2 1 346.475 0.819 50 0 ECAAMP CN(C)C(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000102741997 204049200 /nfs/dbraw/zinc/04/92/00/204049200.db2.gz GHNRVQSVFDTDRY-ZSHCYNCHSA-N 2 1 332.452 0.325 50 0 ECAAMP NC(=O)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000058342253 436624388 /nfs/dbraw/zinc/62/43/88/436624388.db2.gz YHWXCBLDBUYZFZ-UHFFFAOYSA-N 2 1 344.459 0.962 50 0 ECAAMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641221 436719436 /nfs/dbraw/zinc/71/94/36/436719436.db2.gz MLFJHZCCKPSAOJ-MRXNPFEDSA-N 3 1 338.496 0.145 50 0 ECAAMP C[NH+]1CCC(C)(CN2CCO[C@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641221 436719440 /nfs/dbraw/zinc/71/94/40/436719440.db2.gz MLFJHZCCKPSAOJ-MRXNPFEDSA-N 2 1 338.496 0.145 50 0 ECAAMP Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237481384 436736857 /nfs/dbraw/zinc/73/68/57/436736857.db2.gz FKFQBKIFTUWHBI-DGCLKSJQSA-N 2 1 332.452 0.866 50 0 ECAAMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606957 436739679 /nfs/dbraw/zinc/73/96/79/436739679.db2.gz LNDIWMYCVZTQCV-HLLBOEOZSA-N 2 1 339.480 0.713 50 0 ECAAMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606957 436739681 /nfs/dbraw/zinc/73/96/81/436739681.db2.gz LNDIWMYCVZTQCV-HLLBOEOZSA-N 2 1 339.480 0.713 50 0 ECAAMP O[C@@]1(C[NH+]2CCOCC2)C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000019773665 202018950 /nfs/dbraw/zinc/01/89/50/202018950.db2.gz FYLCLHXIPKWGMC-MHJFOBGBSA-N 2 1 343.471 0.249 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877130 203134706 /nfs/dbraw/zinc/13/47/06/203134706.db2.gz YHRAHFTZQUDUKJ-QFBILLFUSA-N 2 1 333.476 0.404 50 0 ECAAMP C[N@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)C1 ZINC000072146761 203170742 /nfs/dbraw/zinc/17/07/42/203170742.db2.gz NKCCEMDDSSWCNZ-KRWDZBQOSA-N 2 1 346.523 0.836 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778618 290084270 /nfs/dbraw/zinc/08/42/70/290084270.db2.gz XDMVFZDNFVTAAB-NSHDSACASA-N 2 1 325.375 0.690 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1 ZINC000065533511 290311127 /nfs/dbraw/zinc/31/11/27/290311127.db2.gz FGTVWNJHTILLEM-OPTDUQHJSA-N 2 1 333.476 0.441 50 0 ECAAMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294431 436043639 /nfs/dbraw/zinc/04/36/39/436043639.db2.gz LSVRGRMGDVGTPW-KBPBESRZSA-N 2 1 336.480 0.623 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000096138921 436515099 /nfs/dbraw/zinc/51/50/99/436515099.db2.gz QVFXWSGDVJNJLZ-RDTXWAMCSA-N 2 1 346.431 0.105 50 0 ECAAMP Cc1cc2c(cc1C[N@H+]1CCN(C3CC[NH2+]CC3)C[C@H](O)C1)OCO2 ZINC000097679986 436543380 /nfs/dbraw/zinc/54/33/80/436543380.db2.gz NESCAIMGIDMNTP-QGZVFWFLSA-N 2 1 347.459 0.954 50 0 ECAAMP C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)C1 ZINC000223113385 436704080 /nfs/dbraw/zinc/70/40/80/436704080.db2.gz VXBKOFQWTPOLPH-GOSISDBHSA-N 2 1 345.491 0.752 50 0 ECAAMP C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)C1 ZINC000223113385 436704082 /nfs/dbraw/zinc/70/40/82/436704082.db2.gz VXBKOFQWTPOLPH-GOSISDBHSA-N 2 1 345.491 0.752 50 0 ECAAMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641222 436718922 /nfs/dbraw/zinc/71/89/22/436718922.db2.gz MLFJHZCCKPSAOJ-INIZCTEOSA-N 3 1 338.496 0.145 50 0 ECAAMP C[NH+]1CCC(C)(CN2CCO[C@@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641222 436718926 /nfs/dbraw/zinc/71/89/26/436718926.db2.gz MLFJHZCCKPSAOJ-INIZCTEOSA-N 2 1 338.496 0.145 50 0 ECAAMP C[C@@H]1C[N@H+](C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739119 437107734 /nfs/dbraw/zinc/10/77/34/437107734.db2.gz KTSKCZVTDMQWFZ-GDBMZVCRSA-N 2 1 325.453 0.467 50 0 ECAAMP COCC[N@H+]1CC[C@H](CN(C)C(=O)CN2CCC[NH+](C)CC2)C1 ZINC000584894916 439626309 /nfs/dbraw/zinc/62/63/09/439626309.db2.gz COSDTHAJGDRLDV-MRXNPFEDSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[NH+]1CC[C@H](CN(C)C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000584894916 439626312 /nfs/dbraw/zinc/62/63/12/439626312.db2.gz COSDTHAJGDRLDV-MRXNPFEDSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[NH+]1CC[C@H](CN(C)C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000584894916 439626315 /nfs/dbraw/zinc/62/63/15/439626315.db2.gz COSDTHAJGDRLDV-MRXNPFEDSA-N 2 1 326.485 0.051 50 0 ECAAMP C[N@H+]1CCOC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000584896495 439626366 /nfs/dbraw/zinc/62/63/66/439626366.db2.gz BDPKNGRCZBQQGX-OAHLLOKOSA-N 2 1 333.436 0.491 50 0 ECAAMP Cn1ncc(N2CCO[C@H](CC[NH2+]C3CC[NH+](C)CC3)C2)cc1=O ZINC000077321816 203379918 /nfs/dbraw/zinc/37/99/18/203379918.db2.gz AXBDKHXYFNMXPV-MRXNPFEDSA-N 2 1 335.452 0.059 50 0 ECAAMP [NH3+]CCc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H](O)C2)cc1 ZINC000097259280 203937394 /nfs/dbraw/zinc/93/73/94/203937394.db2.gz ZNKGSYQQQDAGFF-LJQANCHMSA-N 2 1 333.476 0.845 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000071876922 436022653 /nfs/dbraw/zinc/02/26/53/436022653.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 2 1 343.512 0.234 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000071876922 436022659 /nfs/dbraw/zinc/02/26/59/436022659.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 2 1 343.512 0.234 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000071876922 436022667 /nfs/dbraw/zinc/02/26/67/436022667.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 2 1 343.512 0.234 50 0 ECAAMP O[C@]1(C[NH2+]CCc2nc(Cc3ccccc3)no2)C[NH2+]CCOC1 ZINC000077323097 436233493 /nfs/dbraw/zinc/23/34/93/436233493.db2.gz JBLADPQITNWKPB-QGZVFWFLSA-N 2 1 332.404 0.143 50 0 ECAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000095372744 436492433 /nfs/dbraw/zinc/49/24/33/436492433.db2.gz JCCZRUMJXDVHSF-IAGOWNOFSA-N 2 1 347.459 0.703 50 0 ECAAMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCNC(=O)C1 ZINC000065541946 436666869 /nfs/dbraw/zinc/66/68/69/436666869.db2.gz HGBKIMDUKMNVKD-UHFFFAOYSA-N 2 1 336.480 0.533 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658765 203034209 /nfs/dbraw/zinc/03/42/09/203034209.db2.gz XWCQHFWNFJLUBN-KGLIPLIRSA-N 2 1 335.452 0.828 50 0 ECAAMP OC[C@@H]1CCC[N@H+](C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC000072476971 203232149 /nfs/dbraw/zinc/23/21/49/203232149.db2.gz IOBMDXSCGNWKOS-OAHLLOKOSA-N 2 1 345.491 0.838 50 0 ECAAMP COCc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cn1 ZINC000072409088 203215659 /nfs/dbraw/zinc/21/56/59/203215659.db2.gz ILXFYPYALNJZHV-JKSUJKDBSA-N 2 1 347.463 0.785 50 0 ECAAMP O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4CCCCC4)n3)[C@@H]2C1 ZINC000077505293 203392556 /nfs/dbraw/zinc/39/25/56/203392556.db2.gz IVWXWNMIZHIPAO-QWHCGFSZSA-N 2 1 337.449 0.042 50 0 ECAAMP CC[C@H]1CN([C@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000106777082 436601221 /nfs/dbraw/zinc/60/12/21/436601221.db2.gz NMUBHQOIXXRIQQ-SJORKVTESA-N 2 1 340.512 0.582 50 0 ECAAMP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000065444327 436660629 /nfs/dbraw/zinc/66/06/29/436660629.db2.gz XNHPWRVLHVFDHA-UHFFFAOYSA-N 2 1 346.479 0.681 50 0 ECAAMP C[C@@H](C(=O)NCCCOC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000534634127 439531250 /nfs/dbraw/zinc/53/12/50/439531250.db2.gz TXYXKRFBXRWSNY-HNNXBMFYSA-N 2 1 326.485 0.239 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000084736460 545712783 /nfs/dbraw/zinc/71/27/83/545712783.db2.gz QIWGSAFCLKQBPN-KZNAEPCWSA-N 2 1 327.513 0.856 50 0 ECAAMP CCOCC[N@@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@@H](CO)C1 ZINC000097696243 219048643 /nfs/dbraw/zinc/04/86/43/219048643.db2.gz XBNAICFFBPJFJQ-OAHLLOKOSA-N 2 1 349.479 0.996 50 0 ECAAMP CCOCC[N@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@@H](CO)C1 ZINC000097696243 219048644 /nfs/dbraw/zinc/04/86/44/219048644.db2.gz XBNAICFFBPJFJQ-OAHLLOKOSA-N 2 1 349.479 0.996 50 0 ECAAMP COCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000069817529 203054126 /nfs/dbraw/zinc/05/41/26/203054126.db2.gz BENMSQMVMXZITH-HNNXBMFYSA-N 2 1 338.496 0.382 50 0 ECAAMP COCC[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000069817529 203054128 /nfs/dbraw/zinc/05/41/28/203054128.db2.gz BENMSQMVMXZITH-HNNXBMFYSA-N 2 1 338.496 0.382 50 0 ECAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000072157279 203176088 /nfs/dbraw/zinc/17/60/88/203176088.db2.gz YOPBZBAOMGALAT-CQSZACIVSA-N 2 1 332.452 0.490 50 0 ECAAMP OCC[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@H+]1CC1CC1 ZINC000072407222 203215405 /nfs/dbraw/zinc/21/54/05/203215405.db2.gz SWDQQWJJOSGNEX-OAHLLOKOSA-N 2 1 331.464 0.448 50 0 ECAAMP O[C@@]1(C[NH2+]CCc2nccc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077299680 203378778 /nfs/dbraw/zinc/37/87/78/203378778.db2.gz VNCIFZBJJPLSBS-SFHVURJKSA-N 2 1 328.416 0.627 50 0 ECAAMP [NH3+]CCn1cc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)nn1 ZINC000077535933 203393632 /nfs/dbraw/zinc/39/36/32/203393632.db2.gz VDIVTQNYWUGDSI-MRXNPFEDSA-N 2 1 343.435 0.589 50 0 ECAAMP O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662274 435957396 /nfs/dbraw/zinc/95/73/96/435957396.db2.gz COACQWWJGJQCHU-HNNXBMFYSA-N 2 1 346.479 0.733 50 0 ECAAMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057153071 436605560 /nfs/dbraw/zinc/60/55/60/436605560.db2.gz DASQSIBMFQJDNS-QGZVFWFLSA-N 2 1 344.459 0.717 50 0 ECAAMP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057153071 436605562 /nfs/dbraw/zinc/60/55/62/436605562.db2.gz DASQSIBMFQJDNS-QGZVFWFLSA-N 2 1 344.459 0.717 50 0 ECAAMP C[NH+](C)CCNC(=O)c1cc2n(n1)CCC[N@H+](C1CCOCC1)C2 ZINC000065396014 436657663 /nfs/dbraw/zinc/65/76/63/436657663.db2.gz RQMDIUHUGMBYFF-UHFFFAOYSA-N 2 1 335.452 0.559 50 0 ECAAMP CCS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065534018 436667404 /nfs/dbraw/zinc/66/74/04/436667404.db2.gz ONGFSYXTOHMNAD-CZUORRHYSA-N 2 1 343.493 0.001 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000239762037 436757469 /nfs/dbraw/zinc/75/74/69/436757469.db2.gz CKOXUYOBWGODAG-ABSDTBQOSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000239762037 436757472 /nfs/dbraw/zinc/75/74/72/436757472.db2.gz CKOXUYOBWGODAG-ABSDTBQOSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000239762037 436757473 /nfs/dbraw/zinc/75/74/73/436757473.db2.gz CKOXUYOBWGODAG-ABSDTBQOSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000333797309 437286899 /nfs/dbraw/zinc/28/68/99/437286899.db2.gz ZAUNQMZNBHPCTB-GASCZTMLSA-N 2 1 338.496 0.957 50 0 ECAAMP Nc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)[nH+]c(N)n1 ZINC000584890176 439624425 /nfs/dbraw/zinc/62/44/25/439624425.db2.gz YDKPCVACPLARAM-CYBMUJFWSA-N 2 1 326.404 0.922 50 0 ECAAMP COCC[N@H+]1CC[C@@H](CN(C)C(=O)CN2CCC[NH+](C)CC2)C1 ZINC000584894915 439625955 /nfs/dbraw/zinc/62/59/55/439625955.db2.gz COSDTHAJGDRLDV-INIZCTEOSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[NH+]1CC[C@@H](CN(C)C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000584894915 439625959 /nfs/dbraw/zinc/62/59/59/439625959.db2.gz COSDTHAJGDRLDV-INIZCTEOSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[NH+]1CC[C@@H](CN(C)C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000584894915 439625964 /nfs/dbraw/zinc/62/59/64/439625964.db2.gz COSDTHAJGDRLDV-INIZCTEOSA-N 2 1 326.485 0.051 50 0 ECAAMP CSCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952989589 612140123 /nfs/dbraw/zinc/14/01/23/612140123.db2.gz RZBDIOYKTSZUAO-ZDUSSCGKSA-N 2 1 342.509 0.127 50 0 ECAAMP Cc1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000237748582 165099258 /nfs/dbraw/zinc/09/92/58/165099258.db2.gz XFVAWCMBMUGHAR-OAHLLOKOSA-N 2 1 332.452 0.821 50 0 ECAAMP Cc1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000237748582 165099260 /nfs/dbraw/zinc/09/92/60/165099260.db2.gz XFVAWCMBMUGHAR-OAHLLOKOSA-N 2 1 332.452 0.821 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2ccccn2)CC1 ZINC000069918474 435977858 /nfs/dbraw/zinc/97/78/58/435977858.db2.gz MPKDZAPBVYFBHI-OAHLLOKOSA-N 2 1 334.464 0.722 50 0 ECAAMP O=C(C[NH2+]CCn1cccn1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000071879163 436025581 /nfs/dbraw/zinc/02/55/81/436025581.db2.gz ZKDKIGNEVKZKIG-UHFFFAOYSA-N 2 1 349.479 0.624 50 0 ECAAMP O=C(C[C@@H]1COCC[NH2+]1)N1CCCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072454249 436045732 /nfs/dbraw/zinc/04/57/32/436045732.db2.gz RJXWWQMZDKMJDL-MRXNPFEDSA-N 2 1 347.463 0.590 50 0 ECAAMP Cc1[nH+]ccn1CCC(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077506048 436241413 /nfs/dbraw/zinc/24/14/13/436241413.db2.gz XZZDMNUBFFKJPF-QGZVFWFLSA-N 2 1 331.464 0.820 50 0 ECAAMP Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237694289 436741544 /nfs/dbraw/zinc/74/15/44/436741544.db2.gz FKFQBKIFTUWHBI-WCQYABFASA-N 2 1 332.452 0.866 50 0 ECAAMP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000248737182 436809498 /nfs/dbraw/zinc/80/94/98/436809498.db2.gz NTIJIYURTBCPIK-MWDXBVQZSA-N 2 1 346.475 0.236 50 0 ECAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000584887041 439625045 /nfs/dbraw/zinc/62/50/45/439625045.db2.gz QFHZRQLIRWOTHW-HOTGVXAUSA-N 2 1 325.453 0.156 50 0 ECAAMP C[C@@H]1C[N@H+](CCC(=O)NCC[NH+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012457 /nfs/dbraw/zinc/01/24/57/548012457.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 2 1 327.469 0.306 50 0 ECAAMP C[C@@H]1C[NH+](CCC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012458 /nfs/dbraw/zinc/01/24/58/548012458.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 2 1 327.469 0.306 50 0 ECAAMP C[C@@H]1C[NH+](CCC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012462 /nfs/dbraw/zinc/01/24/62/548012462.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 2 1 327.469 0.306 50 0 ECAAMP Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423191 216212417 /nfs/dbraw/zinc/21/24/17/216212417.db2.gz VIVQPDJMORYSCO-HNNXBMFYSA-N 2 1 348.495 0.579 50 0 ECAAMP Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423191 216212421 /nfs/dbraw/zinc/21/24/21/216212421.db2.gz VIVQPDJMORYSCO-HNNXBMFYSA-N 2 1 348.495 0.579 50 0 ECAAMP COCCn1c(CN2CCC[N@H+]3CCC[C@H]3C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244712707 243062485 /nfs/dbraw/zinc/06/24/85/243062485.db2.gz KVBMRFWVRQQYKM-XHSDSOJGSA-N 2 1 348.495 0.799 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000069657967 435957585 /nfs/dbraw/zinc/95/75/85/435957585.db2.gz OQVKGIOWBJMRJO-OAHLLOKOSA-N 2 1 334.468 0.591 50 0 ECAAMP [NH3+]CCn1cc(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)nn1 ZINC000077535935 436242782 /nfs/dbraw/zinc/24/27/82/436242782.db2.gz VDIVTQNYWUGDSI-INIZCTEOSA-N 2 1 343.435 0.589 50 0 ECAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH+]1 ZINC000097200908 436541771 /nfs/dbraw/zinc/54/17/71/436541771.db2.gz SCRQUVPHRHGFLD-CQSZACIVSA-N 2 1 343.431 0.721 50 0 ECAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH+]1 ZINC000097200908 436541776 /nfs/dbraw/zinc/54/17/76/436541776.db2.gz SCRQUVPHRHGFLD-CQSZACIVSA-N 2 1 343.431 0.721 50 0 ECAAMP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000157299847 436826056 /nfs/dbraw/zinc/82/60/56/436826056.db2.gz JETGIPICQXGMDU-AWEZNQCLSA-N 2 1 325.482 0.535 50 0 ECAAMP CN(c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1)C1CC[NH+](C)CC1 ZINC000426360462 438054564 /nfs/dbraw/zinc/05/45/64/438054564.db2.gz SZCAGPQXMDDKSE-ZDUSSCGKSA-N 2 1 335.452 0.915 50 0 ECAAMP CN(c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1)C1CC[NH+](C)CC1 ZINC000426360460 438054584 /nfs/dbraw/zinc/05/45/84/438054584.db2.gz SZCAGPQXMDDKSE-CYBMUJFWSA-N 2 1 335.452 0.915 50 0 ECAAMP CC(C)OCC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000585134526 439633959 /nfs/dbraw/zinc/63/39/59/439633959.db2.gz YBJKDLKEGHPJHN-SFHVURJKSA-N 2 1 341.496 0.839 50 0 ECAAMP C[N@H+]1CCOC[C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072410877 216202341 /nfs/dbraw/zinc/20/23/41/216202341.db2.gz MUTNYCSCPPCPSK-AWEZNQCLSA-N 2 1 330.436 0.818 50 0 ECAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCC1(Cn3cccn3)CC1)CC[NH2+]CC2 ZINC000072431341 216224109 /nfs/dbraw/zinc/22/41/09/216224109.db2.gz DFZNHELKHFSXTE-OAHLLOKOSA-N 2 1 331.464 0.853 50 0 ECAAMP [NH3+][C@H]1C[C@@H](c2cc(N3CC[NH+](CCO)CC3)nc(N3CCCC3)n2)C1 ZINC000244626800 243047628 /nfs/dbraw/zinc/04/76/28/243047628.db2.gz FTATWNAMQKBWIC-GASCZTMLSA-N 2 1 346.479 0.396 50 0 ECAAMP Cn1nnnc1SCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063882716 436647397 /nfs/dbraw/zinc/64/73/97/436647397.db2.gz ZHEPDSUWSOMTNB-TZMCWYRMSA-N 2 1 326.470 0.271 50 0 ECAAMP COC(=O)c1c(OC[C@@H]2CCC[N@@H+](C)C2)cc(=O)n2c1CC[NH2+]CC2 ZINC000299774390 437112284 /nfs/dbraw/zinc/11/22/84/437112284.db2.gz HMIWIBRSJKJKBA-CYBMUJFWSA-N 2 1 349.431 0.501 50 0 ECAAMP C[NH+]1CCC(CCNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426368339 438054387 /nfs/dbraw/zinc/05/43/87/438054387.db2.gz RUTBUGOCKNQHJZ-OAHLLOKOSA-N 2 1 349.479 0.372 50 0 ECAAMP C[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2OCCC[NH3+])C[C@H]1CO ZINC000426533853 438065354 /nfs/dbraw/zinc/06/53/54/438065354.db2.gz AUBZCRWJZDFPNE-OLZOCXBDSA-N 2 1 341.839 0.862 50 0 ECAAMP O=C([C@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298500 440529056 /nfs/dbraw/zinc/52/90/56/440529056.db2.gz MVQVSGIIHZSQNP-OKZBNKHCSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298500 440529059 /nfs/dbraw/zinc/52/90/59/440529059.db2.gz MVQVSGIIHZSQNP-OKZBNKHCSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298500 440529067 /nfs/dbraw/zinc/52/90/67/440529067.db2.gz MVQVSGIIHZSQNP-OKZBNKHCSA-N 2 1 344.459 0.571 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940609 549727085 /nfs/dbraw/zinc/72/70/85/549727085.db2.gz PRIJUFIEQGZAHT-PMPSAXMXSA-N 3 1 326.485 0.307 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940609 549727087 /nfs/dbraw/zinc/72/70/87/549727087.db2.gz PRIJUFIEQGZAHT-PMPSAXMXSA-N 2 1 326.485 0.307 50 0 ECAAMP Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CN(C)C)c1 ZINC000169791091 609747307 /nfs/dbraw/zinc/74/73/07/609747307.db2.gz MUTOUTYKTWNWJJ-NVXWUHKLSA-N 2 1 349.479 0.349 50 0 ECAAMP Cc1cnn(CC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169791091 609747310 /nfs/dbraw/zinc/74/73/10/609747310.db2.gz MUTOUTYKTWNWJJ-NVXWUHKLSA-N 2 1 349.479 0.349 50 0 ECAAMP Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169791091 609747313 /nfs/dbraw/zinc/74/73/13/609747313.db2.gz MUTOUTYKTWNWJJ-NVXWUHKLSA-N 2 1 349.479 0.349 50 0 ECAAMP COCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000952968548 612139254 /nfs/dbraw/zinc/13/92/54/612139254.db2.gz MIEUMNHUJBZLDF-MRXNPFEDSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000952968548 612139256 /nfs/dbraw/zinc/13/92/56/612139256.db2.gz MIEUMNHUJBZLDF-MRXNPFEDSA-N 2 1 326.485 0.051 50 0 ECAAMP Cc1ncc2c(c1CNC(=O)CN1CCC[N@H+](C)CC1)CC[NH2+]C2 ZINC000072410200 216202791 /nfs/dbraw/zinc/20/27/91/216202791.db2.gz JPNLHFXYMOBFSS-UHFFFAOYSA-N 2 1 331.464 0.289 50 0 ECAAMP Cc1cc(C)n(CCNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c(=O)n1 ZINC000072422909 216212383 /nfs/dbraw/zinc/21/23/83/216212383.db2.gz RRBCVOMCRMRMBJ-HNNXBMFYSA-N 2 1 347.463 0.050 50 0 ECAAMP CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000011935328 211271824 /nfs/dbraw/zinc/27/18/24/211271824.db2.gz JDYSUJPSRCSNEO-OAHLLOKOSA-N 2 1 349.479 0.752 50 0 ECAAMP Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1C ZINC000091914876 218088173 /nfs/dbraw/zinc/08/81/73/218088173.db2.gz PRKSATBNHVRORU-UHFFFAOYSA-N 2 1 345.451 0.812 50 0 ECAAMP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000069844787 435969362 /nfs/dbraw/zinc/96/93/62/435969362.db2.gz NLSHXYRYRIYAJH-OAHLLOKOSA-N 2 1 326.485 0.239 50 0 ECAAMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000069844787 435969366 /nfs/dbraw/zinc/96/93/66/435969366.db2.gz NLSHXYRYRIYAJH-OAHLLOKOSA-N 2 1 326.485 0.239 50 0 ECAAMP COCC[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071825043 436012584 /nfs/dbraw/zinc/01/25/84/436012584.db2.gz VYIXTCMYTXEBEQ-IBGZPJMESA-N 2 1 333.476 0.670 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 ZINC000077541328 436243097 /nfs/dbraw/zinc/24/30/97/436243097.db2.gz KBCPRTGXUJDBIN-UHFFFAOYSA-N 2 1 340.431 0.162 50 0 ECAAMP OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@H+]1CC1CC1 ZINC000106943178 436606912 /nfs/dbraw/zinc/60/69/12/436606912.db2.gz SWDQQWJJOSGNEX-HNNXBMFYSA-N 2 1 331.464 0.448 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000252474312 436830996 /nfs/dbraw/zinc/83/09/96/436830996.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 2 1 343.512 0.234 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252474312 436830999 /nfs/dbraw/zinc/83/09/99/436830999.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 2 1 343.512 0.234 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252474312 436831002 /nfs/dbraw/zinc/83/10/02/436831002.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 2 1 343.512 0.234 50 0 ECAAMP CC[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333815600 320927364 /nfs/dbraw/zinc/92/73/64/320927364.db2.gz KAYCGRUBKRJGKA-BFYDXBDKSA-N 2 1 325.453 0.182 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000097634937 219042971 /nfs/dbraw/zinc/04/29/71/219042971.db2.gz DHEUHPFWNNUFFL-AWEZNQCLSA-N 2 1 347.463 0.494 50 0 ECAAMP COCC[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071825044 436013381 /nfs/dbraw/zinc/01/33/81/436013381.db2.gz VYIXTCMYTXEBEQ-LJQANCHMSA-N 2 1 333.476 0.670 50 0 ECAAMP COc1cc2c(cc1CNC(=O)[C@@]13C[NH2+]C[C@@H]1C[N@@H+](C)C3)OCCO2 ZINC000065465284 436662423 /nfs/dbraw/zinc/66/24/23/436662423.db2.gz XKCTZQPMAAZYCU-FZKQIMNGSA-N 2 1 347.415 0.234 50 0 ECAAMP COc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065527492 436666288 /nfs/dbraw/zinc/66/62/88/436666288.db2.gz DBWHCJIQXVGSNQ-FZKQIMNGSA-N 2 1 346.431 0.291 50 0 ECAAMP CCNC(=O)COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000069531261 436778804 /nfs/dbraw/zinc/77/88/04/436778804.db2.gz XLWQIHSRGXQFJI-INIZCTEOSA-N 2 1 335.448 0.748 50 0 ECAAMP CC(C)OCC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000585134525 439634709 /nfs/dbraw/zinc/63/47/09/439634709.db2.gz YBJKDLKEGHPJHN-GOSISDBHSA-N 2 1 341.496 0.839 50 0 ECAAMP Cc1[nH+]cn(CC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1C ZINC000426494538 753137349 /nfs/dbraw/zinc/13/73/49/753137349.db2.gz ZVLWOAAJFMTXJL-QGZVFWFLSA-N 2 1 331.464 0.738 50 0 ECAAMP O=C([C@@H]1CCC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1)N1CCOCC1 ZINC000072161075 436035002 /nfs/dbraw/zinc/03/50/02/436035002.db2.gz YXAFCNSDPKIQFU-OAHLLOKOSA-N 2 1 347.463 0.447 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1)N1CCOCC1 ZINC000072161075 436035008 /nfs/dbraw/zinc/03/50/08/436035008.db2.gz YXAFCNSDPKIQFU-OAHLLOKOSA-N 2 1 347.463 0.447 50 0 ECAAMP O[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1N1CCN(c2cc[nH+]cc2)CC1 ZINC000072463358 436045251 /nfs/dbraw/zinc/04/52/51/436045251.db2.gz IVGPZJSAHZSBGQ-ROUUACIJSA-N 2 1 332.448 0.428 50 0 ECAAMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)N3CCOCC3)cn2)CC1 ZINC000089761803 436416141 /nfs/dbraw/zinc/41/61/41/436416141.db2.gz SZXUMQMXLMIXTQ-UHFFFAOYSA-N 2 1 348.495 0.429 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCOc2cccc3cccnc32)C1 ZINC000065406884 436660371 /nfs/dbraw/zinc/66/03/71/436660371.db2.gz OBYGOPFMANWQNK-DNVCBOLYSA-N 2 1 340.427 0.881 50 0 ECAAMP O=C(NCc1nnc[nH]1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065454954 436663553 /nfs/dbraw/zinc/66/35/53/436663553.db2.gz ZLWLKIJCEASIGZ-RHSMWYFYSA-N 2 1 326.404 0.143 50 0 ECAAMP O=C(NCc1nc[nH]n1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000065454954 436663555 /nfs/dbraw/zinc/66/35/55/436663555.db2.gz ZLWLKIJCEASIGZ-RHSMWYFYSA-N 2 1 326.404 0.143 50 0 ECAAMP O=C(NCc1nc[nH]n1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065454954 436663560 /nfs/dbraw/zinc/66/35/60/436663560.db2.gz ZLWLKIJCEASIGZ-RHSMWYFYSA-N 2 1 326.404 0.143 50 0 ECAAMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000188535921 437553842 /nfs/dbraw/zinc/55/38/42/437553842.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000188535921 437553845 /nfs/dbraw/zinc/55/38/45/437553845.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000188535921 437553851 /nfs/dbraw/zinc/55/38/51/437553851.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 2 1 326.485 0.956 50 0 ECAAMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122192 439632210 /nfs/dbraw/zinc/63/22/10/439632210.db2.gz QCEOWTDXUWGTJX-OAHLLOKOSA-N 2 1 338.496 0.905 50 0 ECAAMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122192 439632214 /nfs/dbraw/zinc/63/22/14/439632214.db2.gz QCEOWTDXUWGTJX-OAHLLOKOSA-N 2 1 338.496 0.905 50 0 ECAAMP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)CC1 ZINC000670449484 548014448 /nfs/dbraw/zinc/01/44/48/548014448.db2.gz FLARDLFQJNSTNM-HNNXBMFYSA-N 2 1 339.480 0.450 50 0 ECAAMP CCc1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](CC)CC3)C2)cn1 ZINC000095384812 218317196 /nfs/dbraw/zinc/31/71/96/218317196.db2.gz WTWFIHVCYRHWDY-QZTJIDSGSA-N 2 1 347.507 0.717 50 0 ECAAMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583103 289339272 /nfs/dbraw/zinc/33/92/72/289339272.db2.gz FSKUOCYHKMUTRH-FRRDWIJNSA-N 2 1 326.441 0.391 50 0 ECAAMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000071877196 436023669 /nfs/dbraw/zinc/02/36/69/436023669.db2.gz QZGWRFWTVIZAIT-SJORKVTESA-N 2 1 329.448 0.984 50 0 ECAAMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000071877196 436023675 /nfs/dbraw/zinc/02/36/75/436023675.db2.gz QZGWRFWTVIZAIT-SJORKVTESA-N 2 1 329.448 0.984 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C)C1 ZINC000252510568 436836069 /nfs/dbraw/zinc/83/60/69/436836069.db2.gz ADRWMNNXYAAYFH-CVEARBPZSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)C[C@H]2C)C1 ZINC000252510568 436836073 /nfs/dbraw/zinc/83/60/73/436836073.db2.gz ADRWMNNXYAAYFH-CVEARBPZSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)C[C@H]2C)C1 ZINC000252510568 436836078 /nfs/dbraw/zinc/83/60/78/436836078.db2.gz ADRWMNNXYAAYFH-CVEARBPZSA-N 2 1 326.485 0.095 50 0 ECAAMP CNc1nc(NCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1F ZINC000534579027 439528921 /nfs/dbraw/zinc/52/89/21/439528921.db2.gz VXRBHEDZWXPCGM-UHFFFAOYSA-N 2 1 336.459 0.719 50 0 ECAAMP Nc1cc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)[nH+]c(N)n1 ZINC000584890177 439624894 /nfs/dbraw/zinc/62/48/94/439624894.db2.gz YDKPCVACPLARAM-ZDUSSCGKSA-N 2 1 326.404 0.922 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840271 535119987 /nfs/dbraw/zinc/11/99/87/535119987.db2.gz SXMHHHIMAGUAEI-IAGOWNOFSA-N 2 1 336.480 0.999 50 0 ECAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ncnn1C)CC[NH+](C)CC2 ZINC000072447701 216237224 /nfs/dbraw/zinc/23/72/24/216237224.db2.gz XRLDVJISOAGZHS-OAHLLOKOSA-N 2 1 348.495 0.670 50 0 ECAAMP C[C@@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000072474521 216251844 /nfs/dbraw/zinc/25/18/44/216251844.db2.gz GUWBVUONPCHSQH-HNNXBMFYSA-N 2 1 343.479 0.876 50 0 ECAAMP CCc1[nH+]ccn1CC1(CNC(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000299756379 258074913 /nfs/dbraw/zinc/07/49/13/258074913.db2.gz HGQAJEHCKFTAEF-UHFFFAOYSA-N 2 1 333.480 0.979 50 0 ECAAMP CCc1[nH+]ccn1CC1(CNC(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000299756379 258074914 /nfs/dbraw/zinc/07/49/14/258074914.db2.gz HGQAJEHCKFTAEF-UHFFFAOYSA-N 2 1 333.480 0.979 50 0 ECAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114938 277263560 /nfs/dbraw/zinc/26/35/60/277263560.db2.gz UHMIKZPJVMEJIM-OAHLLOKOSA-N 2 1 336.480 0.531 50 0 ECAAMP CCOCC[NH+]1CCC2(CC1)CC[N@@H+](CCC(N)=O)C[C@H]2CO ZINC000102543300 436551320 /nfs/dbraw/zinc/55/13/20/436551320.db2.gz YKCDLEXIOYBHGE-HNNXBMFYSA-N 2 1 327.469 0.295 50 0 ECAAMP Cc1cc(NCCC[N@H+]2CCC[C@@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065421276 436659652 /nfs/dbraw/zinc/65/96/52/436659652.db2.gz DPHDQHIYBUMCHX-OAHLLOKOSA-N 2 1 335.452 0.880 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC000253392594 436842349 /nfs/dbraw/zinc/84/23/49/436842349.db2.gz RLZMOSZDXDRJHY-UHFFFAOYSA-N 2 1 333.436 0.484 50 0 ECAAMP C[C@@H]1C[N@H+](CCC(=O)NCC[NH+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012314 /nfs/dbraw/zinc/01/23/14/548012314.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 2 1 327.469 0.306 50 0 ECAAMP C[C@@H]1C[NH+](CCC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012319 /nfs/dbraw/zinc/01/23/19/548012319.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 2 1 327.469 0.306 50 0 ECAAMP C[C@@H]1C[NH+](CCC(=O)NCC[N@H+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012322 /nfs/dbraw/zinc/01/23/22/548012322.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 2 1 327.469 0.306 50 0 ECAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091695119 218050411 /nfs/dbraw/zinc/05/04/11/218050411.db2.gz ZJYGRWKATFKRJP-GOSISDBHSA-N 2 1 347.463 0.785 50 0 ECAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091695119 218050413 /nfs/dbraw/zinc/05/04/13/218050413.db2.gz ZJYGRWKATFKRJP-GOSISDBHSA-N 2 1 347.463 0.785 50 0 ECAAMP COCC[N@H+]1CC[C@@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067677437 285053277 /nfs/dbraw/zinc/05/32/77/285053277.db2.gz UBJKLEQCKPJXHA-MRXNPFEDSA-N 2 1 338.496 0.193 50 0 ECAAMP C[C@H]1C[N@H+](C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739120 258010836 /nfs/dbraw/zinc/01/08/36/258010836.db2.gz KTSKCZVTDMQWFZ-GOEBONIOSA-N 2 1 325.453 0.467 50 0 ECAAMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000237607294 165099077 /nfs/dbraw/zinc/09/90/77/165099077.db2.gz XUNHMAJYUOXJOY-QLFBSQMISA-N 2 1 326.510 0.666 50 0 ECAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000237607294 165099080 /nfs/dbraw/zinc/09/90/80/165099080.db2.gz XUNHMAJYUOXJOY-QLFBSQMISA-N 2 1 326.510 0.666 50 0 ECAAMP Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000075132896 436151868 /nfs/dbraw/zinc/15/18/68/436151868.db2.gz NAQACEMQVJYNEM-LBPRGKRZSA-N 2 1 337.468 0.990 50 0 ECAAMP COc1cccc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)c1OC ZINC000065460443 436663741 /nfs/dbraw/zinc/66/37/41/436663741.db2.gz NTIYYOIJCJMBPA-RDTXWAMCSA-N 2 1 333.432 0.514 50 0 ECAAMP Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237491634 436735576 /nfs/dbraw/zinc/73/55/76/436735576.db2.gz FKFQBKIFTUWHBI-YPMHNXCESA-N 2 1 332.452 0.866 50 0 ECAAMP C[NH+](C)C1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426485569 438058638 /nfs/dbraw/zinc/05/86/38/438058638.db2.gz DCMUFXOXUUFPIY-CYBMUJFWSA-N 2 1 335.452 0.915 50 0 ECAAMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000585089815 546288122 /nfs/dbraw/zinc/28/81/22/546288122.db2.gz GQNBEQKJGRZLMA-FUHWJXTLSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@H]1CCC[NH+](Cc2cccnc2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000585089815 546288131 /nfs/dbraw/zinc/28/81/31/546288131.db2.gz GQNBEQKJGRZLMA-FUHWJXTLSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000585089815 546288137 /nfs/dbraw/zinc/28/81/37/546288137.db2.gz GQNBEQKJGRZLMA-FUHWJXTLSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000585089815 546288142 /nfs/dbraw/zinc/28/81/42/546288142.db2.gz GQNBEQKJGRZLMA-FUHWJXTLSA-N 2 1 344.459 0.571 50 0 ECAAMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC000685941287 549727826 /nfs/dbraw/zinc/72/78/26/549727826.db2.gz BZBXXTBGSPXEAE-MAUKXSAKSA-N 2 1 332.448 0.827 50 0 ECAAMP Cc1[nH+]cn(CC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c1C ZINC000426494531 753137440 /nfs/dbraw/zinc/13/74/40/753137440.db2.gz ZVLWOAAJFMTXJL-KRWDZBQOSA-N 2 1 331.464 0.738 50 0 ECAAMP COCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)[nH]n1 ZINC000067723765 215194545 /nfs/dbraw/zinc/19/45/45/215194545.db2.gz NLBDEKBZGUVDRO-FZKQIMNGSA-N 2 1 347.463 0.636 50 0 ECAAMP COCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)n[nH]1 ZINC000067723765 215194547 /nfs/dbraw/zinc/19/45/47/215194547.db2.gz NLBDEKBZGUVDRO-FZKQIMNGSA-N 2 1 347.463 0.636 50 0 ECAAMP COCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)n[nH]1 ZINC000067723765 215194550 /nfs/dbraw/zinc/19/45/50/215194550.db2.gz NLBDEKBZGUVDRO-FZKQIMNGSA-N 2 1 347.463 0.636 50 0 ECAAMP Cc1cc(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)nc(N)[nH+]1 ZINC000244887886 243100831 /nfs/dbraw/zinc/10/08/31/243100831.db2.gz YQCLYANQECXJMS-UHFFFAOYSA-N 2 1 341.419 0.913 50 0 ECAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](C(CO)CO)CC1 ZINC000091807224 218068617 /nfs/dbraw/zinc/06/86/17/218068617.db2.gz IZMYPAIUBVFPFT-UHFFFAOYSA-N 2 1 348.451 0.384 50 0 ECAAMP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)n1 ZINC000091746569 218058599 /nfs/dbraw/zinc/05/85/99/218058599.db2.gz WGLHHZAEUYQZPW-HZPDHXFCSA-N 2 1 348.495 0.509 50 0 ECAAMP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)n1 ZINC000091746569 218058600 /nfs/dbraw/zinc/05/86/00/218058600.db2.gz WGLHHZAEUYQZPW-HZPDHXFCSA-N 2 1 348.495 0.509 50 0 ECAAMP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)n1 ZINC000091746569 218058604 /nfs/dbraw/zinc/05/86/04/218058604.db2.gz WGLHHZAEUYQZPW-HZPDHXFCSA-N 2 1 348.495 0.509 50 0 ECAAMP C[N@@H+]1CCN(c2cc[nH+]c(N)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000092081450 218116913 /nfs/dbraw/zinc/11/69/13/218116913.db2.gz ALEUPZPGFYLWAY-SFHVURJKSA-N 2 1 344.463 0.972 50 0 ECAAMP C[N@H+]1CCN(c2cc[nH+]c(N)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000092081450 218116917 /nfs/dbraw/zinc/11/69/17/218116917.db2.gz ALEUPZPGFYLWAY-SFHVURJKSA-N 2 1 344.463 0.972 50 0 ECAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)C[NH3+])CC2)OC1=O ZINC000077421211 277374485 /nfs/dbraw/zinc/37/44/85/277374485.db2.gz SVEXYLFDJMGEEV-UHFFFAOYSA-N 2 1 340.468 0.736 50 0 ECAAMP Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000075132893 436153005 /nfs/dbraw/zinc/15/30/05/436153005.db2.gz NAQACEMQVJYNEM-GFCCVEGCSA-N 2 1 337.468 0.990 50 0 ECAAMP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000095964712 436501107 /nfs/dbraw/zinc/50/11/07/436501107.db2.gz YDFVQCWOPXZCEZ-QGZVFWFLSA-N 2 1 334.464 0.015 50 0 ECAAMP OCC[N@@H+]1CCc2nnc([C@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257188939 436857699 /nfs/dbraw/zinc/85/76/99/436857699.db2.gz NFQIBTBSUMEVIT-INIZCTEOSA-N 2 1 342.447 0.513 50 0 ECAAMP OCC[NH+]1CCc2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2CC1 ZINC000257188939 436857702 /nfs/dbraw/zinc/85/77/02/436857702.db2.gz NFQIBTBSUMEVIT-INIZCTEOSA-N 2 1 342.447 0.513 50 0 ECAAMP OCC[NH+]1CCc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257188939 436857705 /nfs/dbraw/zinc/85/77/05/436857705.db2.gz NFQIBTBSUMEVIT-INIZCTEOSA-N 2 1 342.447 0.513 50 0 ECAAMP Cc1cnc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)cn1 ZINC000169790909 609747038 /nfs/dbraw/zinc/74/70/38/609747038.db2.gz IROJSBWKIDCGOI-RHSMWYFYSA-N 2 1 347.463 0.556 50 0 ECAAMP Cc1cnc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)cn1 ZINC000169790909 609747039 /nfs/dbraw/zinc/74/70/39/609747039.db2.gz IROJSBWKIDCGOI-RHSMWYFYSA-N 2 1 347.463 0.556 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000426521577 753152205 /nfs/dbraw/zinc/15/22/05/753152205.db2.gz YGTOBJVVDWKNEY-MRXNPFEDSA-N 2 1 335.452 0.680 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000426521577 753152211 /nfs/dbraw/zinc/15/22/11/753152211.db2.gz YGTOBJVVDWKNEY-MRXNPFEDSA-N 2 1 335.452 0.680 50 0 ECAAMP CN1CC[N@@H+](C)CC12CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000067871567 215236695 /nfs/dbraw/zinc/23/66/95/215236695.db2.gz KYTNJOBJRDGBKU-QGZVFWFLSA-N 2 1 330.476 0.795 50 0 ECAAMP CN1CC[N@H+](C)C2(CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000067871567 215236700 /nfs/dbraw/zinc/23/67/00/215236700.db2.gz KYTNJOBJRDGBKU-QGZVFWFLSA-N 2 1 330.476 0.795 50 0 ECAAMP CN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000067871567 215236703 /nfs/dbraw/zinc/23/67/03/215236703.db2.gz KYTNJOBJRDGBKU-QGZVFWFLSA-N 2 1 330.476 0.795 50 0 ECAAMP Cc1cccc(N2CCN(C(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)[nH+]1 ZINC000072168168 216059493 /nfs/dbraw/zinc/05/94/93/216059493.db2.gz STLAWTNEZRECNA-INIZCTEOSA-N 3 1 343.475 0.770 50 0 ECAAMP Cc1cc[nH+]c(N2CCN(c3nc(N)nc4c3CC[NH2+]CC4)CC2)c1 ZINC000072477200 216255090 /nfs/dbraw/zinc/25/50/90/216255090.db2.gz OIPGQRBHLDYAAD-UHFFFAOYSA-N 2 1 339.447 0.777 50 0 ECAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)[nH+]1 ZINC000092813342 218169660 /nfs/dbraw/zinc/16/96/60/218169660.db2.gz LMVWQBLJIRSSOT-CQSZACIVSA-N 2 1 343.431 0.721 50 0 ECAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)[nH+]1 ZINC000092813342 218169661 /nfs/dbraw/zinc/16/96/61/218169661.db2.gz LMVWQBLJIRSSOT-CQSZACIVSA-N 2 1 343.431 0.721 50 0 ECAAMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CCCCC2)CCO1 ZINC000262361547 165336844 /nfs/dbraw/zinc/33/68/44/165336844.db2.gz ISXZYAOPMNEHMY-HUUCEWRRSA-N 2 1 339.480 0.639 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000069820311 278395021 /nfs/dbraw/zinc/39/50/21/278395021.db2.gz MIILLBTYVNQRNY-CQSZACIVSA-N 2 1 327.469 0.306 50 0 ECAAMP O=C(C[N@@H+]1CCC[C@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069698116 435959617 /nfs/dbraw/zinc/95/96/17/435959617.db2.gz YSDQKLKZUYAHSU-INIZCTEOSA-N 2 1 332.452 0.486 50 0 ECAAMP O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069698116 435959623 /nfs/dbraw/zinc/95/96/23/435959623.db2.gz YSDQKLKZUYAHSU-INIZCTEOSA-N 2 1 332.452 0.486 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2nncs2)CC1 ZINC000069924550 435976982 /nfs/dbraw/zinc/97/69/82/435976982.db2.gz FMJBXIVBBAIJGP-NSHDSACASA-N 2 1 327.454 0.501 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2nncs2)CC1 ZINC000069924550 435976986 /nfs/dbraw/zinc/97/69/86/435976986.db2.gz FMJBXIVBBAIJGP-NSHDSACASA-N 2 1 327.454 0.501 50 0 ECAAMP O[C@@]1(C[NH2+]CCc2nc(Cc3ccccc3)no2)C[NH2+]CCOC1 ZINC000077323094 436234246 /nfs/dbraw/zinc/23/42/46/436234246.db2.gz JBLADPQITNWKPB-KRWDZBQOSA-N 2 1 332.404 0.143 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)[C@@H]1C[NH2+]CCO1 ZINC000082166192 436363913 /nfs/dbraw/zinc/36/39/13/436363913.db2.gz DRGDBOKXEJVVJD-KRWDZBQOSA-N 2 1 347.463 0.636 50 0 ECAAMP O=C(NCCc1cn[nH]c1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000067695381 215187986 /nfs/dbraw/zinc/18/79/86/215187986.db2.gz WMAQTNASSZKSHK-IEBWSBKVSA-N 2 1 339.443 0.790 50 0 ECAAMP C[N@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)C1 ZINC000072167378 216058261 /nfs/dbraw/zinc/05/82/61/216058261.db2.gz ARHRKWBZRFTZNZ-INIZCTEOSA-N 2 1 332.496 0.446 50 0 ECAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072410472 216202547 /nfs/dbraw/zinc/20/25/47/216202547.db2.gz ACISODIMLKRAJK-CYBMUJFWSA-N 2 1 337.493 0.848 50 0 ECAAMP OC[C@@H]1CCC[N@@H+](CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072440087 216233626 /nfs/dbraw/zinc/23/36/26/216233626.db2.gz QWKPHNNNVVNINI-CQSZACIVSA-N 2 1 330.436 0.554 50 0 ECAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cnc(COC)nc3)CC[C@H]21 ZINC000072479649 216258112 /nfs/dbraw/zinc/25/81/12/216258112.db2.gz BGUHLRHOKUXHSX-JKSUJKDBSA-N 2 1 347.463 0.655 50 0 ECAAMP COCC[NH+]1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(COC)n2)CC1 ZINC000244701136 243059768 /nfs/dbraw/zinc/05/97/68/243059768.db2.gz KATXQEGKOKXNGK-OKILXGFUSA-N 2 1 335.452 0.596 50 0 ECAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091988449 218099170 /nfs/dbraw/zinc/09/91/70/218099170.db2.gz RHTGKBNIKNEHRB-HUUCEWRRSA-N 2 1 337.468 0.128 50 0 ECAAMP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950543 435979564 /nfs/dbraw/zinc/97/95/64/435979564.db2.gz XJEYLWIVDHORNW-NSHDSACASA-N 2 1 325.375 0.690 50 0 ECAAMP Cc1cc(C)n(CCNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c(=O)n1 ZINC000072422910 436044883 /nfs/dbraw/zinc/04/48/83/436044883.db2.gz RRBCVOMCRMRMBJ-OAHLLOKOSA-N 2 1 347.463 0.050 50 0 ECAAMP Cc1cccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014742415 436076576 /nfs/dbraw/zinc/07/65/76/436076576.db2.gz VHYSYSHOZYTSCH-DLBZAZTESA-N 2 1 344.459 0.635 50 0 ECAAMP Cc1cccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014742415 436076580 /nfs/dbraw/zinc/07/65/80/436076580.db2.gz VHYSYSHOZYTSCH-DLBZAZTESA-N 2 1 344.459 0.635 50 0 ECAAMP O=C(NCCN1CCCCC1=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065387327 436657023 /nfs/dbraw/zinc/65/70/23/436657023.db2.gz UOJHCZKMAPCAKJ-DNVCBOLYSA-N 2 1 348.491 0.579 50 0 ECAAMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000245338829 436760440 /nfs/dbraw/zinc/76/04/40/436760440.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000245338829 436760443 /nfs/dbraw/zinc/76/04/43/436760443.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000245338829 436760447 /nfs/dbraw/zinc/76/04/47/436760447.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 2 1 325.501 0.606 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799771 /nfs/dbraw/zinc/79/97/71/436799771.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799773 /nfs/dbraw/zinc/79/97/73/436799773.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799775 /nfs/dbraw/zinc/79/97/75/436799775.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 2 1 335.492 0.866 50 0 ECAAMP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CCO)C2)cc1OCCC[NH3+] ZINC000426399258 438057195 /nfs/dbraw/zinc/05/71/95/438057195.db2.gz QESOUIIQZCFYKL-INIZCTEOSA-N 2 1 335.448 0.861 50 0 ECAAMP Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CCO)C2)cc1OCCC[NH3+] ZINC000426399258 438057203 /nfs/dbraw/zinc/05/72/03/438057203.db2.gz QESOUIIQZCFYKL-INIZCTEOSA-N 2 1 335.448 0.861 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000585089816 546287748 /nfs/dbraw/zinc/28/77/48/546287748.db2.gz GQNBEQKJGRZLMA-SJLPKXTDSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000585089816 546287759 /nfs/dbraw/zinc/28/77/59/546287759.db2.gz GQNBEQKJGRZLMA-SJLPKXTDSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000585089816 546287763 /nfs/dbraw/zinc/28/77/63/546287763.db2.gz GQNBEQKJGRZLMA-SJLPKXTDSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000585089816 546287765 /nfs/dbraw/zinc/28/77/65/546287765.db2.gz GQNBEQKJGRZLMA-SJLPKXTDSA-N 2 1 344.459 0.571 50 0 ECAAMP CN1CCC2(CC1)CN(C(=O)COC[C@H]1CCCO1)CCC[N@H+]2C ZINC000067447042 215146328 /nfs/dbraw/zinc/14/63/28/215146328.db2.gz UHVGWXNMNBDZNG-MRXNPFEDSA-N 2 1 339.480 0.811 50 0 ECAAMP CN1CCCN(C(=O)COC[C@H]2CCCO2)CC12CC[NH+](C)CC2 ZINC000067447042 215146331 /nfs/dbraw/zinc/14/63/31/215146331.db2.gz UHVGWXNMNBDZNG-MRXNPFEDSA-N 2 1 339.480 0.811 50 0 ECAAMP CN(CC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C)C1CC[NH2+]CC1 ZINC000299760951 258077661 /nfs/dbraw/zinc/07/76/61/258077661.db2.gz SDMYRNUNWKXXRI-GOSISDBHSA-N 2 1 330.476 0.843 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877128 436025511 /nfs/dbraw/zinc/02/55/11/436025511.db2.gz YHRAHFTZQUDUKJ-LPHOPBHVSA-N 2 1 333.476 0.404 50 0 ECAAMP Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000077458082 436238692 /nfs/dbraw/zinc/23/86/92/436238692.db2.gz YTEJEMOQSULKHR-OAHLLOKOSA-N 2 1 342.447 0.797 50 0 ECAAMP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082087601 436361135 /nfs/dbraw/zinc/36/11/35/436361135.db2.gz JOSCEADPMRVDJE-GOSISDBHSA-N 2 1 329.444 0.677 50 0 ECAAMP C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C(N)=O)CC3)C[C@@](C)(C1)C2 ZINC000065382605 436655449 /nfs/dbraw/zinc/65/54/49/436655449.db2.gz NRLQWYMLNDNZCP-HDICACEKSA-N 2 1 336.480 0.374 50 0 ECAAMP COCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCSC)CC2)C1 ZINC000584895664 439626578 /nfs/dbraw/zinc/62/65/78/439626578.db2.gz NZWISVJBKOIFCO-OAHLLOKOSA-N 2 1 329.510 0.852 50 0 ECAAMP COCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCSC)CC2)C1 ZINC000584895664 439626581 /nfs/dbraw/zinc/62/65/81/439626581.db2.gz NZWISVJBKOIFCO-OAHLLOKOSA-N 2 1 329.510 0.852 50 0 ECAAMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017214 215352408 /nfs/dbraw/zinc/35/24/08/215352408.db2.gz XUIJTJGLSKCONL-OKILXGFUSA-N 2 1 338.452 0.359 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840262 242205034 /nfs/dbraw/zinc/20/50/34/242205034.db2.gz SXMHHHIMAGUAEI-SJORKVTESA-N 2 1 336.480 0.999 50 0 ECAAMP C[C@H]1C[NH+](C)CCN1C(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000071890059 436026546 /nfs/dbraw/zinc/02/65/46/436026546.db2.gz BITFGGYELRZCOU-HOTGVXAUSA-N 2 1 338.496 0.872 50 0 ECAAMP C[C@H]1C[NH+](C)CCN1C(=O)CCCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000071890059 436026553 /nfs/dbraw/zinc/02/65/53/436026553.db2.gz BITFGGYELRZCOU-HOTGVXAUSA-N 2 1 338.496 0.872 50 0 ECAAMP O[C@]1(CN2CC[NH+](C/C=C/c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000077323360 436234140 /nfs/dbraw/zinc/23/41/40/436234140.db2.gz DXDYHQMSOGSIFI-QTWIXLPOSA-N 2 1 331.460 0.668 50 0 ECAAMP O[C@]1(C[NH2+]CCc2csc(-c3cnccn3)n2)C[NH2+]CCOC1 ZINC000077504569 436241445 /nfs/dbraw/zinc/24/14/45/436241445.db2.gz CWNRIUUMSYZPEJ-OAHLLOKOSA-N 2 1 335.433 0.083 50 0 ECAAMP C[NH2+][C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082127709 436360990 /nfs/dbraw/zinc/36/09/90/436360990.db2.gz JNSBLISRIPYLSY-KRWDZBQOSA-N 2 1 349.479 0.618 50 0 ECAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2C1 ZINC000082120316 436361250 /nfs/dbraw/zinc/36/12/50/436361250.db2.gz CQLYPWLEMJAKRH-OAHLLOKOSA-N 2 1 335.452 0.349 50 0 ECAAMP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082087600 436361422 /nfs/dbraw/zinc/36/14/22/436361422.db2.gz JOSCEADPMRVDJE-SFHVURJKSA-N 2 1 329.444 0.677 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384187 436548619 /nfs/dbraw/zinc/54/86/19/436548619.db2.gz SXMHHHIMAGUAEI-DLBZAZTESA-N 2 1 336.480 0.999 50 0 ECAAMP NC(=O)c1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC000220198688 436699438 /nfs/dbraw/zinc/69/94/38/436699438.db2.gz DYGOLDDVHCMDQM-FICVDOATSA-N 2 1 337.427 0.999 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000069521027 436777763 /nfs/dbraw/zinc/77/77/63/436777763.db2.gz LHMPOFILRAINDB-INIZCTEOSA-N 2 1 334.468 0.733 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2Cn2cncn2)CC1 ZINC000069521027 436777765 /nfs/dbraw/zinc/77/77/65/436777765.db2.gz LHMPOFILRAINDB-INIZCTEOSA-N 2 1 334.468 0.733 50 0 ECAAMP CC(C)Nc1nc(N2CCC([NH+]3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000328586458 437236817 /nfs/dbraw/zinc/23/68/17/437236817.db2.gz IBYKMAWOXJCVTI-UHFFFAOYSA-N 2 1 349.483 0.005 50 0 ECAAMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942472 549728942 /nfs/dbraw/zinc/72/89/42/549728942.db2.gz RFOFLRZHUOZORM-ZDUSSCGKSA-N 2 1 335.452 0.358 50 0 ECAAMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942472 549728944 /nfs/dbraw/zinc/72/89/44/549728944.db2.gz RFOFLRZHUOZORM-ZDUSSCGKSA-N 2 1 335.452 0.358 50 0 ECAAMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000091468841 218010909 /nfs/dbraw/zinc/01/09/09/218010909.db2.gz PHHKDFBPEKCULJ-HNNXBMFYSA-N 2 1 345.447 0.236 50 0 ECAAMP O=C(C[C@H]1COCC[NH2+]1)N1CCCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072454250 295548501 /nfs/dbraw/zinc/54/85/01/295548501.db2.gz RJXWWQMZDKMJDL-INIZCTEOSA-N 2 1 347.463 0.590 50 0 ECAAMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000071877199 436024007 /nfs/dbraw/zinc/02/40/07/436024007.db2.gz QZGWRFWTVIZAIT-DLBZAZTESA-N 2 1 329.448 0.984 50 0 ECAAMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000071877199 436024009 /nfs/dbraw/zinc/02/40/09/436024009.db2.gz QZGWRFWTVIZAIT-DLBZAZTESA-N 2 1 329.448 0.984 50 0 ECAAMP COCC[N@H+](C)CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000071916708 436031237 /nfs/dbraw/zinc/03/12/37/436031237.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[N@@H+](C)CCNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000071916708 436031242 /nfs/dbraw/zinc/03/12/42/436031242.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[NH+](C)CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071916708 436031245 /nfs/dbraw/zinc/03/12/45/436031245.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[NH+](C)CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071916708 436031252 /nfs/dbraw/zinc/03/12/52/436031252.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 2 1 349.475 0.972 50 0 ECAAMP CCc1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)no1 ZINC000065427003 436658928 /nfs/dbraw/zinc/65/89/28/436658928.db2.gz XUBLRDIPOTWPQG-SJKOYZFVSA-N 2 1 333.436 0.712 50 0 ECAAMP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298499 440529352 /nfs/dbraw/zinc/52/93/52/440529352.db2.gz MVQVSGIIHZSQNP-FGTMMUONSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298499 440529358 /nfs/dbraw/zinc/52/93/58/440529358.db2.gz MVQVSGIIHZSQNP-FGTMMUONSA-N 2 1 344.459 0.571 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655298499 440529363 /nfs/dbraw/zinc/52/93/63/440529363.db2.gz MVQVSGIIHZSQNP-FGTMMUONSA-N 2 1 344.459 0.571 50 0 ECAAMP Cc1cc2c(cc1C[N@H+]1CC[C@H](CNC(=O)C3C[NH2+]C3)C1)OCCO2 ZINC000067867413 215234491 /nfs/dbraw/zinc/23/44/91/215234491.db2.gz SKIBREGDOWXMAD-CQSZACIVSA-N 2 1 345.443 0.924 50 0 ECAAMP CN(CC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C)C1CC[NH2+]CC1 ZINC000299760955 258078192 /nfs/dbraw/zinc/07/81/92/258078192.db2.gz SDMYRNUNWKXXRI-SFHVURJKSA-N 2 1 330.476 0.843 50 0 ECAAMP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3[nH+]cnc4[nH]ccc43)CC[C@H]21 ZINC000072408223 277270955 /nfs/dbraw/zinc/27/09/55/277270955.db2.gz FABLLTPPVUITRB-GXTWGEPZSA-N 2 1 328.420 0.995 50 0 ECAAMP CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069456185 436774867 /nfs/dbraw/zinc/77/48/67/436774867.db2.gz CBBIKYHCPLOWOH-ZIAGYGMSSA-N 2 1 340.468 0.653 50 0 ECAAMP O=C(C[N@@H+]1CCCC[C@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069521077 436777866 /nfs/dbraw/zinc/77/78/66/436777866.db2.gz IWWWPEJGUQZREK-KRWDZBQOSA-N 2 1 346.479 0.876 50 0 ECAAMP O=C(C[N@H+]1CCCC[C@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069521077 436777869 /nfs/dbraw/zinc/77/78/69/436777869.db2.gz IWWWPEJGUQZREK-KRWDZBQOSA-N 2 1 346.479 0.876 50 0 ECAAMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478038 436833997 /nfs/dbraw/zinc/83/39/97/436833997.db2.gz AAMQMPBGTNGADJ-WBVHZDCISA-N 2 1 325.453 0.420 50 0 ECAAMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478038 436834001 /nfs/dbraw/zinc/83/40/01/436834001.db2.gz AAMQMPBGTNGADJ-WBVHZDCISA-N 2 1 325.453 0.420 50 0 ECAAMP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000188535945 437554449 /nfs/dbraw/zinc/55/44/49/437554449.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000188535945 437554454 /nfs/dbraw/zinc/55/44/54/437554454.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000188535945 437554458 /nfs/dbraw/zinc/55/44/58/437554458.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 2 1 326.485 0.956 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000408519096 438581867 /nfs/dbraw/zinc/58/18/67/438581867.db2.gz ZLPFWOWCLYHFCN-KRWDZBQOSA-N 2 1 338.496 0.337 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000408519096 438581868 /nfs/dbraw/zinc/58/18/68/438581868.db2.gz ZLPFWOWCLYHFCN-KRWDZBQOSA-N 2 1 338.496 0.337 50 0 ECAAMP CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)CCn1cccn1 ZINC000169791085 609747288 /nfs/dbraw/zinc/74/72/88/609747288.db2.gz JBLJOGKEDQNSNJ-NVXWUHKLSA-N 2 1 349.479 0.430 50 0 ECAAMP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)CCn1cccn1 ZINC000169791085 609747291 /nfs/dbraw/zinc/74/72/91/609747291.db2.gz JBLJOGKEDQNSNJ-NVXWUHKLSA-N 2 1 349.479 0.430 50 0 ECAAMP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)CCn1cccn1 ZINC000169791085 609747293 /nfs/dbraw/zinc/74/72/93/609747293.db2.gz JBLJOGKEDQNSNJ-NVXWUHKLSA-N 2 1 349.479 0.430 50 0 ECAAMP COCC[NH+]1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000244652004 243051574 /nfs/dbraw/zinc/05/15/74/243051574.db2.gz GYBUSQILBPRWAX-OKILXGFUSA-N 2 1 334.468 0.516 50 0 ECAAMP COc1cccc([C@H]2CN(C(=O)CN3CCC[N@@H+](C)CC3)C[C@@H]2[NH3+])c1 ZINC000091624954 218033163 /nfs/dbraw/zinc/03/31/63/218033163.db2.gz NWSQQTLQMWTMMI-MSOLQXFVSA-N 2 1 346.475 0.586 50 0 ECAAMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000343080767 258001909 /nfs/dbraw/zinc/00/19/09/258001909.db2.gz GQOIAUNIXVHROB-BZUAXINKSA-N 2 1 338.496 0.380 50 0 ECAAMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H](C)O1 ZINC000343080767 258001910 /nfs/dbraw/zinc/00/19/10/258001910.db2.gz GQOIAUNIXVHROB-BZUAXINKSA-N 2 1 338.496 0.380 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)nn1 ZINC000077339165 436234507 /nfs/dbraw/zinc/23/45/07/436234507.db2.gz RNINHAWVIDHGJX-AWEZNQCLSA-N 2 1 344.419 0.337 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)nn1 ZINC000077339165 436234510 /nfs/dbraw/zinc/23/45/10/436234510.db2.gz RNINHAWVIDHGJX-AWEZNQCLSA-N 2 1 344.419 0.337 50 0 ECAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000221251489 436701651 /nfs/dbraw/zinc/70/16/51/436701651.db2.gz OAEOYBIUOHMRBF-INIZCTEOSA-N 2 1 332.448 0.885 50 0 ECAAMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)CC1 ZINC000670449485 548014145 /nfs/dbraw/zinc/01/41/45/548014145.db2.gz FLARDLFQJNSTNM-OAHLLOKOSA-N 2 1 339.480 0.450 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000097634936 219042936 /nfs/dbraw/zinc/04/29/36/219042936.db2.gz DHEUHPFWNNUFFL-CQSZACIVSA-N 2 1 347.463 0.494 50 0 ECAAMP COCC[N@H+]1CC[C@H](CN(C)c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072421650 216210442 /nfs/dbraw/zinc/21/04/42/216210442.db2.gz ZYASCWGGZTXQTP-CYBMUJFWSA-N 2 1 334.468 0.152 50 0 ECAAMP Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CC[NH+](CCn3cncn3)CC2)n1 ZINC000244659705 243051439 /nfs/dbraw/zinc/05/14/39/243051439.db2.gz HHNJGQDEEAWPHH-SHTZXODSSA-N 2 1 342.451 0.403 50 0 ECAAMP CCc1cc(N2C[C@H]([NH3+])C[C@H]2C(=O)NC)nc(N2CCCCC2)[nH+]1 ZINC000091504013 218013800 /nfs/dbraw/zinc/01/38/00/218013800.db2.gz CWVVAGFIZSEWRW-OCCSQVGLSA-N 2 1 332.452 0.681 50 0 ECAAMP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+](C[C@H](O)CO)CC2)OC1=O ZINC000072406786 277374458 /nfs/dbraw/zinc/37/44/58/277374458.db2.gz LFEJZBAWSLJLDI-HNNXBMFYSA-N 2 1 343.468 0.214 50 0 ECAAMP Cc1nn(CC[N@H+]2CCC[C@H](C(N)=O)C2)cc1CN1CC[NH+](C)CC1 ZINC000065435887 436661954 /nfs/dbraw/zinc/66/19/54/436661954.db2.gz WFQRNMHEEDADHA-INIZCTEOSA-N 2 1 348.495 0.136 50 0 ECAAMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478035 436832577 /nfs/dbraw/zinc/83/25/77/436832577.db2.gz AAMQMPBGTNGADJ-DOTOQJQBSA-N 2 1 325.453 0.420 50 0 ECAAMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478035 436832585 /nfs/dbraw/zinc/83/25/85/436832585.db2.gz AAMQMPBGTNGADJ-DOTOQJQBSA-N 2 1 325.453 0.420 50 0 ECAAMP Cc1[nH+]cn(CC[NH2+][C@H]2CCC(=O)N(CC(=O)N(C)C)CC2)c1C ZINC000670442907 548011853 /nfs/dbraw/zinc/01/18/53/548011853.db2.gz FZSMYSPVGAJYCQ-HNNXBMFYSA-N 2 1 335.452 0.559 50 0 ECAAMP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000229803272 242201831 /nfs/dbraw/zinc/20/18/31/242201831.db2.gz QIWGSAFCLKQBPN-KURKYZTESA-N 2 1 327.513 0.856 50 0 ECAAMP C[C@@H](CCn1cncn1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416705 218356166 /nfs/dbraw/zinc/35/61/66/218356166.db2.gz VBRRFFCKFWPANA-AWEZNQCLSA-N 2 1 330.440 0.388 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCCC1 ZINC000299772512 258084681 /nfs/dbraw/zinc/08/46/81/258084681.db2.gz AIMKCMSHAIDZKA-PIIMJCKOSA-N 2 1 343.475 0.971 50 0 ECAAMP CN1c2ccccc2C2(CC[NH+](C[C@]3(O)C[NH2+]CCOC3)CC2)C1=O ZINC000077423560 277217438 /nfs/dbraw/zinc/21/74/38/277217438.db2.gz BIJVCIJMXJRARK-GOSISDBHSA-N 2 1 345.443 0.348 50 0 ECAAMP Cc1nnc2n1CCN(C(=O)[C@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)CC2 ZINC000072417859 279237987 /nfs/dbraw/zinc/23/79/87/279237987.db2.gz MITOVCZZTQRKKH-CQSZACIVSA-N 2 1 332.452 0.045 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000069624908 435950049 /nfs/dbraw/zinc/95/00/49/435950049.db2.gz WXEMQFHUXSYDAS-QGZVFWFLSA-N 2 1 348.495 0.960 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000069624908 435950057 /nfs/dbraw/zinc/95/00/57/435950057.db2.gz WXEMQFHUXSYDAS-QGZVFWFLSA-N 2 1 348.495 0.960 50 0 ECAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CN2CCOCC2)C(C)C)CC1 ZINC000095941474 436500554 /nfs/dbraw/zinc/50/05/54/436500554.db2.gz SIJXCTCWOKJYEQ-DLBZAZTESA-N 2 1 340.512 0.485 50 0 ECAAMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3nccn4c(=O)[nH]nc34)C2)CC1 ZINC000067350071 436711780 /nfs/dbraw/zinc/71/17/80/436711780.db2.gz GTFKLVNTBKIOQJ-CYBMUJFWSA-N 2 1 331.424 0.070 50 0 ECAAMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610307 436668920 /nfs/dbraw/zinc/66/89/20/436668920.db2.gz FSKUOCYHKMUTRH-XQQFMLRXSA-N 2 1 326.441 0.391 50 0 ECAAMP Cc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237715808 436742332 /nfs/dbraw/zinc/74/23/32/436742332.db2.gz FKFQBKIFTUWHBI-AAEUAGOBSA-N 2 1 332.452 0.866 50 0 ECAAMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942470 549728863 /nfs/dbraw/zinc/72/88/63/549728863.db2.gz RFOFLRZHUOZORM-CYBMUJFWSA-N 2 1 335.452 0.358 50 0 ECAAMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942470 549728867 /nfs/dbraw/zinc/72/88/67/549728867.db2.gz RFOFLRZHUOZORM-CYBMUJFWSA-N 2 1 335.452 0.358 50 0 ECAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@H]([NH3+])CC1 ZINC000072157276 216047523 /nfs/dbraw/zinc/04/75/23/216047523.db2.gz YOPBZBAOMGALAT-AWEZNQCLSA-N 2 1 332.452 0.490 50 0 ECAAMP C[N@H+]1CCOC[C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072410878 216202893 /nfs/dbraw/zinc/20/28/93/216202893.db2.gz MUTNYCSCPPCPSK-CQSZACIVSA-N 2 1 330.436 0.818 50 0 ECAAMP Cn1cnnc1C1CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072475664 216252538 /nfs/dbraw/zinc/25/25/38/216252538.db2.gz BHNALHNTKFAEHM-OAHLLOKOSA-N 2 1 346.479 0.595 50 0 ECAAMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)o1 ZINC000072475346 216253307 /nfs/dbraw/zinc/25/33/07/216253307.db2.gz OQWCCBWFYOWQGZ-DZGCQCFKSA-N 2 1 348.447 0.753 50 0 ECAAMP COCC[N@H+]1CC[C@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067677439 285056982 /nfs/dbraw/zinc/05/69/82/285056982.db2.gz UBJKLEQCKPJXHA-INIZCTEOSA-N 2 1 338.496 0.193 50 0 ECAAMP c1ccc(N2CCN(CC[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574859 275067713 /nfs/dbraw/zinc/06/77/13/275067713.db2.gz CSKARBPCSUTODP-FQEVSTJZSA-N 2 1 343.519 0.788 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778620 278395098 /nfs/dbraw/zinc/39/50/98/278395098.db2.gz XDMVFZDNFVTAAB-LLVKDONJSA-N 2 1 325.375 0.690 50 0 ECAAMP C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408144 436236990 /nfs/dbraw/zinc/23/69/90/436236990.db2.gz CSKDTLSUUWWHAF-ZDUSSCGKSA-N 2 1 328.420 0.413 50 0 ECAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@@H]2CO)CC1 ZINC000091351043 436448312 /nfs/dbraw/zinc/44/83/12/436448312.db2.gz VBOABUNCMOABJV-HZPDHXFCSA-N 2 1 345.447 0.511 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000252474314 436832722 /nfs/dbraw/zinc/83/27/22/436832722.db2.gz AUDGEQSLMUPVLK-TXTZMMAHSA-N 2 1 343.512 0.234 50 0 ECAAMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000174737189 231296284 /nfs/dbraw/zinc/29/62/84/231296284.db2.gz DSHXTBRELBOFAT-MRXNPFEDSA-N 2 1 335.452 0.137 50 0 ECAAMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000174737189 231296287 /nfs/dbraw/zinc/29/62/87/231296287.db2.gz DSHXTBRELBOFAT-MRXNPFEDSA-N 2 1 335.452 0.137 50 0 ECAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCc1ncnn1C)CC[NH+](C)CC2 ZINC000072447702 216237740 /nfs/dbraw/zinc/23/77/40/216237740.db2.gz XRLDVJISOAGZHS-HNNXBMFYSA-N 2 1 348.495 0.670 50 0 ECAAMP c1ccc(N2CCN(CC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574860 243040432 /nfs/dbraw/zinc/04/04/32/243040432.db2.gz CSKARBPCSUTODP-HXUWFJFHSA-N 2 1 343.519 0.788 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000069709419 287086088 /nfs/dbraw/zinc/08/60/88/287086088.db2.gz HFRDAEHHCDJZAG-CQSZACIVSA-N 2 1 335.514 0.293 50 0 ECAAMP O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662269 435956280 /nfs/dbraw/zinc/95/62/80/435956280.db2.gz COACQWWJGJQCHU-OAHLLOKOSA-N 2 1 346.479 0.733 50 0 ECAAMP O=C(NCC[NH2+]C[C@@]1(O)C[NH2+]CCOC1)c1ccccc1Cl ZINC000077505760 436241314 /nfs/dbraw/zinc/24/13/14/436241314.db2.gz OQVIXGBZGZORFF-OAHLLOKOSA-N 2 1 327.812 0.010 50 0 ECAAMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000096436529 436532064 /nfs/dbraw/zinc/53/20/64/436532064.db2.gz QSQYBIGRROUJIO-OAHLLOKOSA-N 2 1 337.468 0.896 50 0 ECAAMP Cc1cc(NCCC[N@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065421274 436659245 /nfs/dbraw/zinc/65/92/45/436659245.db2.gz DPHDQHIYBUMCHX-HNNXBMFYSA-N 2 1 335.452 0.880 50 0 ECAAMP [NH3+]C1CC(c2cc(NC3CC[NH+](CC(=O)NC4CC4)CC3)ncn2)C1 ZINC000220686200 436699600 /nfs/dbraw/zinc/69/96/00/436699600.db2.gz HHSAGXNTDIBJMN-UHFFFAOYSA-N 2 1 344.463 0.836 50 0 ECAAMP CC[N@H+]1CCC[C@H](NC(=O)c2nn(CCOC)c3c2C[NH2+]CC3)C1 ZINC000257191201 436858983 /nfs/dbraw/zinc/85/89/83/436858983.db2.gz PMTJDQLJHULVNG-ZDUSSCGKSA-N 2 1 335.452 0.389 50 0 ECAAMP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1CO ZINC000055227200 214292835 /nfs/dbraw/zinc/29/28/35/214292835.db2.gz TUQAHRGDDTZKOL-PMACEKPBSA-N 2 1 347.503 0.897 50 0 ECAAMP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1CO ZINC000055227200 214292836 /nfs/dbraw/zinc/29/28/36/214292836.db2.gz TUQAHRGDDTZKOL-PMACEKPBSA-N 2 1 347.503 0.897 50 0 ECAAMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)Cn1ccnc1 ZINC000095416643 218356047 /nfs/dbraw/zinc/35/60/47/218356047.db2.gz QBEPUWDEZGGXJS-HNNXBMFYSA-N 2 1 329.452 0.851 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000069624911 435951543 /nfs/dbraw/zinc/95/15/43/435951543.db2.gz WXEMQFHUXSYDAS-KRWDZBQOSA-N 2 1 348.495 0.960 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)CC1 ZINC000069624911 435951548 /nfs/dbraw/zinc/95/15/48/435951548.db2.gz WXEMQFHUXSYDAS-KRWDZBQOSA-N 2 1 348.495 0.960 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)nn1 ZINC000077322838 436230642 /nfs/dbraw/zinc/23/06/42/436230642.db2.gz RXZPGHYJZRKYGP-GJZGRUSLSA-N 2 1 326.404 0.336 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nn1 ZINC000077322838 436230645 /nfs/dbraw/zinc/23/06/45/436230645.db2.gz RXZPGHYJZRKYGP-GJZGRUSLSA-N 2 1 326.404 0.336 50 0 ECAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CN2CCOCC2)C(C)C)CC1 ZINC000095941472 436500616 /nfs/dbraw/zinc/50/06/16/436500616.db2.gz SIJXCTCWOKJYEQ-IRXDYDNUSA-N 2 1 340.512 0.485 50 0 ECAAMP C[NH+]1CCN(C(=O)c2ccnc(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c2)CC1 ZINC000095364299 218297089 /nfs/dbraw/zinc/29/70/89/218297089.db2.gz GTMWZWQJWCIECK-CVEARBPZSA-N 2 1 329.448 0.643 50 0 ECAAMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CCC(C(N)=O)CC3)cn2)CC1 ZINC000095416700 277114304 /nfs/dbraw/zinc/11/43/04/277114304.db2.gz WAAMGIXOVZARMQ-UHFFFAOYSA-N 2 1 346.479 0.610 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658762 435956548 /nfs/dbraw/zinc/95/65/48/435956548.db2.gz XWCQHFWNFJLUBN-KBPBESRZSA-N 2 1 335.452 0.828 50 0 ECAAMP Cc1cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nc(N)[nH+]1 ZINC000075128677 436151703 /nfs/dbraw/zinc/15/17/03/436151703.db2.gz RRFZASUNTPRQKW-HNNXBMFYSA-N 2 1 343.431 0.929 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000215387216 436696328 /nfs/dbraw/zinc/69/63/28/436696328.db2.gz NRQYTTXMTCWGTJ-SFHVURJKSA-N 3 1 343.475 0.947 50 0 ECAAMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000215387216 436696331 /nfs/dbraw/zinc/69/63/31/436696331.db2.gz NRQYTTXMTCWGTJ-SFHVURJKSA-N 3 1 343.475 0.947 50 0 ECAAMP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000065446803 436662099 /nfs/dbraw/zinc/66/20/99/436662099.db2.gz IVNHXGMSQGLYSF-UHFFFAOYSA-N 2 1 346.479 0.681 50 0 ECAAMP CC[C@@H]1CN([C@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000241371329 436759478 /nfs/dbraw/zinc/75/94/78/436759478.db2.gz MMRUIOZJBSDBAY-BRWVUGGUSA-N 2 1 340.512 0.316 50 0 ECAAMP CC[C@@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000241371329 436759482 /nfs/dbraw/zinc/75/94/82/436759482.db2.gz MMRUIOZJBSDBAY-BRWVUGGUSA-N 2 1 340.512 0.316 50 0 ECAAMP C[N@H+]1CCOC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC[NH3+])C1 ZINC000426398983 438057434 /nfs/dbraw/zinc/05/74/34/438057434.db2.gz FRLDYXYAHMYCRC-LBPRGKRZSA-N 2 1 341.839 0.986 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229554190 242178624 /nfs/dbraw/zinc/17/86/24/242178624.db2.gz CKOXUYOBWGODAG-ZWOKBUDYSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229554190 242178631 /nfs/dbraw/zinc/17/86/31/242178631.db2.gz CKOXUYOBWGODAG-ZWOKBUDYSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229554190 242178635 /nfs/dbraw/zinc/17/86/35/242178635.db2.gz CKOXUYOBWGODAG-ZWOKBUDYSA-N 2 1 347.503 0.793 50 0 ECAAMP CCc1[nH+]ccn1CCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000091665650 218043877 /nfs/dbraw/zinc/04/38/77/218043877.db2.gz HQFPHEWOUVQEKU-CABCVRRESA-N 2 1 347.463 0.410 50 0 ECAAMP COCCn1c(C[NH+]2CCC3(CCO3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243885826 285189652 /nfs/dbraw/zinc/18/96/52/285189652.db2.gz ACRHCHREZYHTJL-OKILXGFUSA-N 2 1 335.452 0.884 50 0 ECAAMP CCOCC[NH+]1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000069655528 435953081 /nfs/dbraw/zinc/95/30/81/435953081.db2.gz NXSGIIMLQHWUGV-UHFFFAOYSA-N 2 1 326.485 0.241 50 0 ECAAMP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077393181 436236245 /nfs/dbraw/zinc/23/62/45/436236245.db2.gz TUSHFGSCDKINJY-MSOLQXFVSA-N 2 1 331.460 0.876 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)[C@H]1C[NH2+]CCO1 ZINC000082166196 436363109 /nfs/dbraw/zinc/36/31/09/436363109.db2.gz DRGDBOKXEJVVJD-QGZVFWFLSA-N 2 1 347.463 0.636 50 0 ECAAMP Cc1c(C(=O)N2CC[NH+](CC3CC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237747373 436745026 /nfs/dbraw/zinc/74/50/26/436745026.db2.gz DPZLJCWDRKGZLR-UHFFFAOYSA-N 2 1 332.452 0.679 50 0 ECAAMP C[C@H](C(=O)NCCCOC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000534634128 439530872 /nfs/dbraw/zinc/53/08/72/439530872.db2.gz TXYXKRFBXRWSNY-OAHLLOKOSA-N 2 1 326.485 0.239 50 0 ECAAMP CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069456183 203002783 /nfs/dbraw/zinc/00/27/83/203002783.db2.gz CBBIKYHCPLOWOH-OKILXGFUSA-N 2 1 340.468 0.653 50 0 ECAAMP CCNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069456183 203002788 /nfs/dbraw/zinc/00/27/88/203002788.db2.gz CBBIKYHCPLOWOH-OKILXGFUSA-N 2 1 340.468 0.653 50 0 ECAAMP CCc1[nH+]ccn1CCCNC(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000011935329 436047594 /nfs/dbraw/zinc/04/75/94/436047594.db2.gz JDYSUJPSRCSNEO-HNNXBMFYSA-N 2 1 349.479 0.752 50 0 ECAAMP C[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2F)CC1 ZINC000020405849 436112037 /nfs/dbraw/zinc/11/20/37/436112037.db2.gz NSNYTVOMZQTFAC-UHFFFAOYSA-N 2 1 335.427 0.421 50 0 ECAAMP [NH3+]C[C@H](O)CC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082162171 436362604 /nfs/dbraw/zinc/36/26/04/436362604.db2.gz UOOHPFHUYIUVEO-QGZVFWFLSA-N 2 1 349.479 0.747 50 0 ECAAMP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091550823 436453145 /nfs/dbraw/zinc/45/31/45/436453145.db2.gz PCWRZLSNIUJCRY-IAGOWNOFSA-N 2 1 335.496 0.325 50 0 ECAAMP CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000096137395 436515159 /nfs/dbraw/zinc/51/51/59/436515159.db2.gz WEDBIKKIKNLLHY-FZKQIMNGSA-N 2 1 331.464 0.788 50 0 ECAAMP [NH3+]C1CC(c2cc(N3CC[NH+](CCN4CCOCC4)CC3)ncn2)C1 ZINC000223591484 436707460 /nfs/dbraw/zinc/70/74/60/436707460.db2.gz PNFPZHCWOLAEID-UHFFFAOYSA-N 2 1 346.479 0.136 50 0 ECAAMP C[N@H+]1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@@H]2C1 ZINC000065470370 436662700 /nfs/dbraw/zinc/66/27/00/436662700.db2.gz GRDZGMOMOGATLL-SFHVURJKSA-N 2 1 328.460 0.851 50 0 ECAAMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000077419586 203387130 /nfs/dbraw/zinc/38/71/30/203387130.db2.gz ALVZHMGAYPFVAC-UHFFFAOYSA-N 2 1 325.376 0.661 50 0 ECAAMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000096436528 218816719 /nfs/dbraw/zinc/81/67/19/218816719.db2.gz QSQYBIGRROUJIO-HNNXBMFYSA-N 2 1 337.468 0.896 50 0 ECAAMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000252585338 288146289 /nfs/dbraw/zinc/14/62/89/288146289.db2.gz HWEGKPQSVKSYDZ-QLFBSQMISA-N 2 1 326.485 0.956 50 0 ECAAMP O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2)N1CC[NH2+]CC1 ZINC000092003936 436464778 /nfs/dbraw/zinc/46/47/78/436464778.db2.gz LZAOQGIIKFBXTG-FUHWJXTLSA-N 2 1 343.475 0.410 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C)C1 ZINC000089938999 436422139 /nfs/dbraw/zinc/42/21/39/436422139.db2.gz ADRWMNNXYAAYFH-HZPDHXFCSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C)C[C@H]2C)C1 ZINC000089938999 436422142 /nfs/dbraw/zinc/42/21/42/436422142.db2.gz ADRWMNNXYAAYFH-HZPDHXFCSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C)C[C@H]2C)C1 ZINC000089938999 436422145 /nfs/dbraw/zinc/42/21/45/436422145.db2.gz ADRWMNNXYAAYFH-HZPDHXFCSA-N 2 1 326.485 0.095 50 0 ECAAMP CCn1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)c2ccccc21 ZINC000096138191 436515374 /nfs/dbraw/zinc/51/53/74/436515374.db2.gz YONVUCJPYBCTBY-FZKQIMNGSA-N 2 1 327.432 0.824 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000108163320 436616188 /nfs/dbraw/zinc/61/61/88/436616188.db2.gz BBHFAZNWGKEEPK-KKUMJFAQSA-N 2 1 338.452 0.979 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000065527839 436667295 /nfs/dbraw/zinc/66/72/95/436667295.db2.gz GQOULWLROYZHQN-MLGOLLRUSA-N 2 1 335.477 0.511 50 0 ECAAMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC3OCCO3)CC2)CC1 ZINC000124956598 436760781 /nfs/dbraw/zinc/76/07/81/436760781.db2.gz KIYSMNFIPVGJGS-UHFFFAOYSA-N 2 1 325.453 0.626 50 0 ECAAMP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478037 436831286 /nfs/dbraw/zinc/83/12/86/436831286.db2.gz AAMQMPBGTNGADJ-RDJZCZTQSA-N 2 1 325.453 0.420 50 0 ECAAMP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@]2(CCCOC2)O1 ZINC000252478037 436831292 /nfs/dbraw/zinc/83/12/92/436831292.db2.gz AAMQMPBGTNGADJ-RDJZCZTQSA-N 2 1 325.453 0.420 50 0 ECAAMP C[NH+](C)C1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426485570 438059459 /nfs/dbraw/zinc/05/94/59/438059459.db2.gz DCMUFXOXUUFPIY-ZDUSSCGKSA-N 2 1 335.452 0.915 50 0 ECAAMP CC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000241371330 201152626 /nfs/dbraw/zinc/15/26/26/201152626.db2.gz MMRUIOZJBSDBAY-YESZJQIVSA-N 2 1 340.512 0.316 50 0 ECAAMP CC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000241371330 201152630 /nfs/dbraw/zinc/15/26/30/201152630.db2.gz MMRUIOZJBSDBAY-YESZJQIVSA-N 2 1 340.512 0.316 50 0 ECAAMP CCN1C(=O)NC(=O)C12CC[NH+](Cc1cc3n(n1)CCC[NH2+]C3)CC2 ZINC000072156573 203175209 /nfs/dbraw/zinc/17/52/09/203175209.db2.gz NKJUCDKWMHZHPG-UHFFFAOYSA-N 2 1 346.435 0.283 50 0 ECAAMP CN1CCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)CC12CC[NH2+]CC2 ZINC000097766215 277208981 /nfs/dbraw/zinc/20/89/81/277208981.db2.gz ZANNQFAEUFNBSV-GOSISDBHSA-N 2 1 342.487 0.939 50 0 ECAAMP CN1CCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2C)CC12CC[NH2+]CC2 ZINC000097766215 277208983 /nfs/dbraw/zinc/20/89/83/277208983.db2.gz ZANNQFAEUFNBSV-GOSISDBHSA-N 2 1 342.487 0.939 50 0 ECAAMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000073382752 436075914 /nfs/dbraw/zinc/07/59/14/436075914.db2.gz LBBKLUSMUWYPTB-SFHVURJKSA-N 2 1 346.475 0.775 50 0 ECAAMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000073382752 436075918 /nfs/dbraw/zinc/07/59/18/436075918.db2.gz LBBKLUSMUWYPTB-SFHVURJKSA-N 2 1 346.475 0.775 50 0 ECAAMP CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000091620437 436455571 /nfs/dbraw/zinc/45/55/71/436455571.db2.gz UYWPDPIWIGVTQW-QZTJIDSGSA-N 2 1 347.507 0.435 50 0 ECAAMP c1cn(CC[NH+]2CCOCC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091849390 436461859 /nfs/dbraw/zinc/46/18/59/436461859.db2.gz SQUXROABDJMROU-UHFFFAOYSA-N 2 1 331.424 0.398 50 0 ECAAMP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000106786644 436601399 /nfs/dbraw/zinc/60/13/99/436601399.db2.gz NLSHXYRYRIYAJH-HNNXBMFYSA-N 2 1 326.485 0.239 50 0 ECAAMP CC[C@@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000106868195 436603010 /nfs/dbraw/zinc/60/30/10/436603010.db2.gz MMRUIOZJBSDBAY-GVDBMIGSSA-N 2 1 340.512 0.316 50 0 ECAAMP CC[C@@H]1CN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000106868195 436603012 /nfs/dbraw/zinc/60/30/12/436603012.db2.gz MMRUIOZJBSDBAY-GVDBMIGSSA-N 2 1 340.512 0.316 50 0 ECAAMP O=C([C@@H]1C[C@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195000591 436676123 /nfs/dbraw/zinc/67/61/23/436676123.db2.gz NTIJIYURTBCPIK-YYIAUSFCSA-N 2 1 346.475 0.236 50 0 ECAAMP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195000591 436676127 /nfs/dbraw/zinc/67/61/27/436676127.db2.gz NTIJIYURTBCPIK-YYIAUSFCSA-N 2 1 346.475 0.236 50 0 ECAAMP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195000591 436676131 /nfs/dbraw/zinc/67/61/31/436676131.db2.gz NTIJIYURTBCPIK-YYIAUSFCSA-N 2 1 346.475 0.236 50 0 ECAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C)c(=O)c1 ZINC000069534339 203015473 /nfs/dbraw/zinc/01/54/73/203015473.db2.gz SDJXGZWGQQGHCK-INIZCTEOSA-N 2 1 334.464 0.873 50 0 ECAAMP C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950545 203064625 /nfs/dbraw/zinc/06/46/25/203064625.db2.gz XJEYLWIVDHORNW-LLVKDONJSA-N 2 1 325.375 0.690 50 0 ECAAMP COCC[N@H+](C)CCNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000071916709 203150636 /nfs/dbraw/zinc/15/06/36/203150636.db2.gz VTTCGKRWKWOOIC-SFHVURJKSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[N@@H+](C)CCNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000071916709 203150640 /nfs/dbraw/zinc/15/06/40/203150640.db2.gz VTTCGKRWKWOOIC-SFHVURJKSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[NH+](C)CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071916709 203150643 /nfs/dbraw/zinc/15/06/43/203150643.db2.gz VTTCGKRWKWOOIC-SFHVURJKSA-N 2 1 349.475 0.972 50 0 ECAAMP COCC[NH+](C)CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071916709 203150646 /nfs/dbraw/zinc/15/06/46/203150646.db2.gz VTTCGKRWKWOOIC-SFHVURJKSA-N 2 1 349.475 0.972 50 0 ECAAMP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000077288174 203378965 /nfs/dbraw/zinc/37/89/65/203378965.db2.gz ZFAWIBLFFCJMCE-MSOLQXFVSA-N 2 1 346.475 0.557 50 0 ECAAMP O=C(NCc1cc2n(n1)CC[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCC1 ZINC000299758469 258076016 /nfs/dbraw/zinc/07/60/16/258076016.db2.gz NHVMXPSGRIMDGQ-FVQHAEBGSA-N 2 1 329.448 0.580 50 0 ECAAMP [NH3+][C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091951554 436465682 /nfs/dbraw/zinc/46/56/82/436465682.db2.gz SXAUVTZDBYYVOH-INIZCTEOSA-N 2 1 335.452 0.357 50 0 ECAAMP C[NH+](C)CCN1CC2(CCC1=O)CCN(c1nc(N)cc[nH+]1)CC2 ZINC000095358603 436491389 /nfs/dbraw/zinc/49/13/89/436491389.db2.gz BEVUKPWFWCUKDU-UHFFFAOYSA-N 2 1 332.452 0.829 50 0 ECAAMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057153072 436604936 /nfs/dbraw/zinc/60/49/36/436604936.db2.gz DASQSIBMFQJDNS-KRWDZBQOSA-N 2 1 344.459 0.717 50 0 ECAAMP NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057153072 436604938 /nfs/dbraw/zinc/60/49/38/436604938.db2.gz DASQSIBMFQJDNS-KRWDZBQOSA-N 2 1 344.459 0.717 50 0 ECAAMP Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cnn1CC[NH+]1CCCCC1 ZINC000065405898 436658917 /nfs/dbraw/zinc/65/89/17/436658917.db2.gz KDEWNFMGPKEWJO-MRXNPFEDSA-N 2 1 340.493 0.954 50 0 ECAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000065512185 436665726 /nfs/dbraw/zinc/66/57/26/436665726.db2.gz MJXQXHCHEVITBO-CQSZACIVSA-N 2 1 330.436 0.866 50 0 ECAAMP CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@]3(C)CC[N@H+](C)C3)no2)CC1 ZINC000067817253 436724790 /nfs/dbraw/zinc/72/47/90/436724790.db2.gz ALDVPPIVXTUELX-GOSISDBHSA-N 2 1 349.479 0.884 50 0 ECAAMP CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@]3(C)CC[N@@H+](C)C3)no2)CC1 ZINC000067817253 436724794 /nfs/dbraw/zinc/72/47/94/436724794.db2.gz ALDVPPIVXTUELX-GOSISDBHSA-N 2 1 349.479 0.884 50 0 ECAAMP O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CC([NH+]2CCCCC2)C1 ZINC000067946838 436728960 /nfs/dbraw/zinc/72/89/60/436728960.db2.gz TZEPVNKJDJEBAS-CQSZACIVSA-N 2 1 332.452 0.588 50 0 ECAAMP CC[C@@H]1CN([C@H](C)C(=O)N2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000241439852 436759330 /nfs/dbraw/zinc/75/93/30/436759330.db2.gz NMUBHQOIXXRIQQ-IAGOWNOFSA-N 2 1 340.512 0.582 50 0 ECAAMP C[NH+](C)[C@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)C1 ZINC000230539160 436717575 /nfs/dbraw/zinc/71/75/75/436717575.db2.gz VXBKOFQWTPOLPH-SFHVURJKSA-N 2 1 345.491 0.752 50 0 ECAAMP C[NH+](C)[C@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)C1 ZINC000230539160 436717578 /nfs/dbraw/zinc/71/75/78/436717578.db2.gz VXBKOFQWTPOLPH-SFHVURJKSA-N 2 1 345.491 0.752 50 0 ECAAMP CCOCC[NH+]1CCN(C(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000426668318 438071676 /nfs/dbraw/zinc/07/16/76/438071676.db2.gz LMDZYORRFSBSFM-MRXNPFEDSA-N 2 1 349.479 0.531 50 0 ECAAMP COCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCSC)CC2)C1 ZINC000584895663 439626869 /nfs/dbraw/zinc/62/68/69/439626869.db2.gz NZWISVJBKOIFCO-HNNXBMFYSA-N 2 1 329.510 0.852 50 0 ECAAMP COCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCSC)CC2)C1 ZINC000584895663 439626871 /nfs/dbraw/zinc/62/68/71/439626871.db2.gz NZWISVJBKOIFCO-HNNXBMFYSA-N 2 1 329.510 0.852 50 0 ECAAMP C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000343080769 201367150 /nfs/dbraw/zinc/36/71/50/201367150.db2.gz GQOIAUNIXVHROB-OWCLPIDISA-N 2 1 338.496 0.380 50 0 ECAAMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000343080769 201367153 /nfs/dbraw/zinc/36/71/53/201367153.db2.gz GQOIAUNIXVHROB-OWCLPIDISA-N 2 1 338.496 0.380 50 0 ECAAMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C[C@H](C)O1 ZINC000343080769 201367156 /nfs/dbraw/zinc/36/71/56/201367156.db2.gz GQOIAUNIXVHROB-OWCLPIDISA-N 2 1 338.496 0.380 50 0 ECAAMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H](C)O1 ZINC000343080769 201367160 /nfs/dbraw/zinc/36/71/60/201367160.db2.gz GQOIAUNIXVHROB-OWCLPIDISA-N 2 1 338.496 0.380 50 0 ECAAMP O=S(=O)(NCC[NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000072469071 203229778 /nfs/dbraw/zinc/22/97/78/203229778.db2.gz URYMBVLLAWQXBU-CQSZACIVSA-N 2 1 347.868 0.322 50 0 ECAAMP O[C@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)C[NH2+]CCOC1 ZINC000077471658 203389993 /nfs/dbraw/zinc/38/99/93/203389993.db2.gz UYDRARDEXGSYJV-KRWDZBQOSA-N 2 1 331.420 0.260 50 0 ECAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)cc2C1 ZINC000082098671 436361360 /nfs/dbraw/zinc/36/13/60/436361360.db2.gz NXGNWQAPRIRWFQ-INIZCTEOSA-N 2 1 345.451 0.408 50 0 ECAAMP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)cc2C1 ZINC000082098671 436361362 /nfs/dbraw/zinc/36/13/62/436361362.db2.gz NXGNWQAPRIRWFQ-INIZCTEOSA-N 2 1 345.451 0.408 50 0 ECAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)cc2C1 ZINC000082098671 436361367 /nfs/dbraw/zinc/36/13/67/436361367.db2.gz NXGNWQAPRIRWFQ-INIZCTEOSA-N 2 1 345.451 0.408 50 0 ECAAMP CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC000091595007 436455242 /nfs/dbraw/zinc/45/52/42/436455242.db2.gz SBXQLDVBSRBEQS-MRXNPFEDSA-N 2 1 344.459 0.788 50 0 ECAAMP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091595007 436455245 /nfs/dbraw/zinc/45/52/45/436455245.db2.gz SBXQLDVBSRBEQS-MRXNPFEDSA-N 2 1 344.459 0.788 50 0 ECAAMP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091595007 436455249 /nfs/dbraw/zinc/45/52/49/436455249.db2.gz SBXQLDVBSRBEQS-MRXNPFEDSA-N 2 1 344.459 0.788 50 0 ECAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CCC(N)=O)CC1 ZINC000091738420 436458771 /nfs/dbraw/zinc/45/87/71/436458771.db2.gz DSITVFBKRDKNNC-UHFFFAOYSA-N 2 1 345.451 0.906 50 0 ECAAMP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000095964711 436501040 /nfs/dbraw/zinc/50/10/40/436501040.db2.gz YDFVQCWOPXZCEZ-KRWDZBQOSA-N 2 1 334.464 0.015 50 0 ECAAMP O=C(NCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)c1ccncc1 ZINC000065372216 436656364 /nfs/dbraw/zinc/65/63/64/436656364.db2.gz LDTIFPZZLDQBRJ-SJLPKXTDSA-N 2 1 332.448 0.780 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CCO1 ZINC000276669908 437147023 /nfs/dbraw/zinc/14/70/23/437147023.db2.gz RAXVADJQQWSUBX-KBRIMQKVSA-N 2 1 333.432 0.246 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CCO1 ZINC000276669908 437147027 /nfs/dbraw/zinc/14/70/27/437147027.db2.gz RAXVADJQQWSUBX-KBRIMQKVSA-N 2 1 333.432 0.246 50 0 ECAAMP C[NH+]1CCC(N2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2)CC1 ZINC000426408929 438058087 /nfs/dbraw/zinc/05/80/87/438058087.db2.gz KKLKILNWLGUAMU-CQSZACIVSA-N 2 1 346.479 0.779 50 0 ECAAMP COc1cccc(CN2CC[N@@H+](C)[C@@H](CO)C2)c1OCC[NH+](C)C ZINC000216193960 241172287 /nfs/dbraw/zinc/17/22/87/241172287.db2.gz HPKTVGCQYFMYLP-MRXNPFEDSA-N 2 1 337.464 0.744 50 0 ECAAMP CN(CCC[NH+]1CCOCC1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000244595106 243040165 /nfs/dbraw/zinc/04/01/65/243040165.db2.gz DOTOLWDLJJWTQC-GASCZTMLSA-N 2 1 348.495 0.972 50 0 ECAAMP Cc1cc(=O)n(CC[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(=O)[nH]1 ZINC000253536175 244011594 /nfs/dbraw/zinc/01/15/94/244011594.db2.gz BBVVXBORERPVRH-UHFFFAOYSA-N 2 1 329.404 0.783 50 0 ECAAMP Cc1cccc(N2CCN(C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)[nH+]1 ZINC000072168169 203181403 /nfs/dbraw/zinc/18/14/03/203181403.db2.gz STLAWTNEZRECNA-MRXNPFEDSA-N 3 1 343.475 0.770 50 0 ECAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCCCn1cncn1)CC[NH+](C)CC2 ZINC000072407910 203216304 /nfs/dbraw/zinc/21/63/04/203216304.db2.gz WCIAOGWBDOKFRI-INIZCTEOSA-N 2 1 348.495 0.981 50 0 ECAAMP OC[C@H]1CCC[N@@H+](CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072440085 203224143 /nfs/dbraw/zinc/22/41/43/203224143.db2.gz QWKPHNNNVVNINI-AWEZNQCLSA-N 2 1 330.436 0.554 50 0 ECAAMP O=C(NCc1cc2n(n1)CCC[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCC1 ZINC000102806826 204050771 /nfs/dbraw/zinc/05/07/71/204050771.db2.gz JXDUBCNFDACAJN-PIIMJCKOSA-N 2 1 343.475 0.971 50 0 ECAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](CC3CCCCC3)CCN2C1=O ZINC000014747295 436077474 /nfs/dbraw/zinc/07/74/74/436077474.db2.gz PTJNRLDPCYMLJZ-JKSUJKDBSA-N 2 1 336.480 0.707 50 0 ECAAMP COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065387682 436658302 /nfs/dbraw/zinc/65/83/02/436658302.db2.gz PMISFWVTVBMEEY-FZKQIMNGSA-N 2 1 346.431 0.210 50 0 ECAAMP C[N@H+]1CCCN(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000223675165 436706886 /nfs/dbraw/zinc/70/68/86/436706886.db2.gz VUYVALGWDUMIEU-UHFFFAOYSA-N 2 1 345.491 0.800 50 0 ECAAMP Cc1nn(CC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1CN1CC[NH+](C)CC1 ZINC000065435890 436662219 /nfs/dbraw/zinc/66/22/19/436662219.db2.gz WFQRNMHEEDADHA-MRXNPFEDSA-N 2 1 348.495 0.136 50 0 ECAAMP CC[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333815602 437288606 /nfs/dbraw/zinc/28/86/06/437288606.db2.gz KAYCGRUBKRJGKA-INMHGKMJSA-N 2 1 325.453 0.182 50 0 ECAAMP CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244659756 545934489 /nfs/dbraw/zinc/93/44/89/545934489.db2.gz HICYPVNWQMSVDZ-OKILXGFUSA-N 2 1 334.468 0.987 50 0 ECAAMP CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299773997 742098239 /nfs/dbraw/zinc/09/82/39/742098239.db2.gz DHHYSLRWVGIUSY-GFCCVEGCSA-N 2 1 349.435 0.310 50 0 ECAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299773997 742098244 /nfs/dbraw/zinc/09/82/44/742098244.db2.gz DHHYSLRWVGIUSY-GFCCVEGCSA-N 2 1 349.435 0.310 50 0 ECAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299773997 742098246 /nfs/dbraw/zinc/09/82/46/742098246.db2.gz DHHYSLRWVGIUSY-GFCCVEGCSA-N 2 1 349.435 0.310 50 0 ECAAMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c(N)n3)C[C@@H]2CCO)CC1 ZINC000072431718 216224658 /nfs/dbraw/zinc/22/46/58/216224658.db2.gz HNZYHFTZEVACDR-INIZCTEOSA-N 2 1 348.495 0.805 50 0 ECAAMP Nc1nc2c(c(NCC3([NH+]4CCOCC4)CCCC3)n1)CC[NH2+]CC2 ZINC000072422070 203219580 /nfs/dbraw/zinc/21/95/80/203219580.db2.gz WQQYGCKPBPXVQK-UHFFFAOYSA-N 2 1 346.479 0.804 50 0 ECAAMP C[NH+]1CCN(C[C@@H]2C[N@H+](C3Cc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000095358293 277107729 /nfs/dbraw/zinc/10/77/29/277107729.db2.gz VLYFBMBCWRUMJK-RTBURBONSA-N 2 1 329.488 0.942 50 0 ECAAMP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000344745119 298060374 /nfs/dbraw/zinc/06/03/74/298060374.db2.gz YKNYSORHXGLLBS-UHFFFAOYSA-N 2 1 330.476 0.798 50 0 ECAAMP Cc1nc(-c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@H+](C)C4)cc2)no1 ZINC000065365957 436655226 /nfs/dbraw/zinc/65/52/26/436655226.db2.gz PMMBQWGGZXRIGI-CRAIPNDOSA-N 2 1 341.415 0.812 50 0 ECAAMP CCCC[N@@H+](CCO)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000070947696 203084180 /nfs/dbraw/zinc/08/41/80/203084180.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 2 1 329.485 0.554 50 0 ECAAMP CCCC[NH+](CCO)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000070947696 203084183 /nfs/dbraw/zinc/08/41/83/203084183.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 2 1 329.485 0.554 50 0 ECAAMP CCCC[NH+](CCO)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000070947696 203084185 /nfs/dbraw/zinc/08/41/85/203084185.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 2 1 329.485 0.554 50 0 ECAAMP CC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000071864648 203133596 /nfs/dbraw/zinc/13/35/96/203133596.db2.gz MMRUIOZJBSDBAY-IXDOHACOSA-N 2 1 340.512 0.316 50 0 ECAAMP CC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000071864648 203133599 /nfs/dbraw/zinc/13/35/99/203133599.db2.gz MMRUIOZJBSDBAY-IXDOHACOSA-N 2 1 340.512 0.316 50 0 ECAAMP O=C([C@H]1CCC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1)N1CCOCC1 ZINC000072161074 203175980 /nfs/dbraw/zinc/17/59/80/203175980.db2.gz YXAFCNSDPKIQFU-HNNXBMFYSA-N 2 1 347.463 0.447 50 0 ECAAMP O=C([C@H]1CCC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1)N1CCOCC1 ZINC000072161074 203175982 /nfs/dbraw/zinc/17/59/82/203175982.db2.gz YXAFCNSDPKIQFU-HNNXBMFYSA-N 2 1 347.463 0.447 50 0 ECAAMP C[N@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)C1 ZINC000072167379 203180136 /nfs/dbraw/zinc/18/01/36/203180136.db2.gz ARHRKWBZRFTZNZ-MRXNPFEDSA-N 2 1 332.496 0.446 50 0 ECAAMP O[C@@]1(C[NH2+]CCc2csc(-c3cnccn3)n2)C[NH2+]CCOC1 ZINC000077504567 203392088 /nfs/dbraw/zinc/39/20/88/203392088.db2.gz CWNRIUUMSYZPEJ-HNNXBMFYSA-N 2 1 335.433 0.083 50 0 ECAAMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000174737180 207052037 /nfs/dbraw/zinc/05/20/37/207052037.db2.gz DSHXTBRELBOFAT-INIZCTEOSA-N 2 1 335.452 0.137 50 0 ECAAMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000174737180 207052042 /nfs/dbraw/zinc/05/20/42/207052042.db2.gz DSHXTBRELBOFAT-INIZCTEOSA-N 2 1 335.452 0.137 50 0 ECAAMP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+](C[C@@H](O)CO)CC2)OC1=O ZINC000072406787 277374275 /nfs/dbraw/zinc/37/42/75/277374275.db2.gz LFEJZBAWSLJLDI-OAHLLOKOSA-N 2 1 343.468 0.214 50 0 ECAAMP Cc1c(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cnn1C ZINC000091831140 436460189 /nfs/dbraw/zinc/46/01/89/436460189.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 2 1 335.496 0.406 50 0 ECAAMP Cc1c(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cnn1C ZINC000091831140 436460194 /nfs/dbraw/zinc/46/01/94/436460194.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 2 1 335.496 0.406 50 0 ECAAMP Cc1c(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cnn1C ZINC000091831140 436460198 /nfs/dbraw/zinc/46/01/98/436460198.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 2 1 335.496 0.406 50 0 ECAAMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000245338830 436760075 /nfs/dbraw/zinc/76/00/75/436760075.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000245338830 436760079 /nfs/dbraw/zinc/76/00/79/436760079.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000245338830 436760084 /nfs/dbraw/zinc/76/00/84/436760084.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 2 1 325.501 0.606 50 0 ECAAMP COc1ccc(C(=O)NC[C@H]2COCC[N@@H+](C)C2)cc1OCC[NH3+] ZINC000426615214 438067675 /nfs/dbraw/zinc/06/76/75/438067675.db2.gz VHVONMWZWUKNTE-CYBMUJFWSA-N 2 1 337.420 0.341 50 0 ECAAMP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262713390 535056057 /nfs/dbraw/zinc/05/60/57/535056057.db2.gz SHAMZDCPSPTIPA-IRXDYDNUSA-N 2 1 346.475 0.983 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940608 549727113 /nfs/dbraw/zinc/72/71/13/549727113.db2.gz PRIJUFIEQGZAHT-OAGGEKHMSA-N 3 1 326.485 0.307 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940608 549727116 /nfs/dbraw/zinc/72/71/16/549727116.db2.gz PRIJUFIEQGZAHT-OAGGEKHMSA-N 2 1 326.485 0.307 50 0 ECAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1cncn1)CC[NH+](C)CC2 ZINC000072407909 216199134 /nfs/dbraw/zinc/19/91/34/216199134.db2.gz WCIAOGWBDOKFRI-MRXNPFEDSA-N 2 1 348.495 0.981 50 0 ECAAMP O[C@H]1CCC[N@@H+](CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)C1 ZINC000072476020 216253769 /nfs/dbraw/zinc/25/37/69/216253769.db2.gz DSLGLVAQAZXBIY-AWEZNQCLSA-N 2 1 331.464 0.911 50 0 ECAAMP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@](C)(C1)C2O ZINC000091650761 218040008 /nfs/dbraw/zinc/04/00/08/218040008.db2.gz DGGZISIEXLYEML-HZTRTUMWSA-N 2 1 335.452 0.187 50 0 ECAAMP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2O ZINC000091650761 218040011 /nfs/dbraw/zinc/04/00/11/218040011.db2.gz DGGZISIEXLYEML-HZTRTUMWSA-N 2 1 335.452 0.187 50 0 ECAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)[nH+]1 ZINC000092813341 218169892 /nfs/dbraw/zinc/16/98/92/218169892.db2.gz LMVWQBLJIRSSOT-AWEZNQCLSA-N 2 1 343.431 0.721 50 0 ECAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)[nH+]1 ZINC000092813341 218169894 /nfs/dbraw/zinc/16/98/94/218169894.db2.gz LMVWQBLJIRSSOT-AWEZNQCLSA-N 2 1 343.431 0.721 50 0 ECAAMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3CCC(CO)CC3)cn2)CC1 ZINC000095416660 218355527 /nfs/dbraw/zinc/35/55/27/218355527.db2.gz JEYRFVWAXATLJL-UHFFFAOYSA-N 2 1 348.495 0.022 50 0 ECAAMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000237432536 165096641 /nfs/dbraw/zinc/09/66/41/165096641.db2.gz XUNHMAJYUOXJOY-RBSFLKMASA-N 2 1 326.510 0.666 50 0 ECAAMP Cc1[nH+]ccn1CCC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077506049 436241056 /nfs/dbraw/zinc/24/10/56/436241056.db2.gz XZZDMNUBFFKJPF-KRWDZBQOSA-N 2 1 331.464 0.820 50 0 ECAAMP Cc1nccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065491704 436665019 /nfs/dbraw/zinc/66/50/19/436665019.db2.gz JHEWMEBHFXGTMM-CRAIPNDOSA-N 2 1 331.464 0.772 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065491704 436665023 /nfs/dbraw/zinc/66/50/23/436665023.db2.gz JHEWMEBHFXGTMM-CRAIPNDOSA-N 3 1 331.464 0.772 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065491704 436665025 /nfs/dbraw/zinc/66/50/25/436665025.db2.gz JHEWMEBHFXGTMM-CRAIPNDOSA-N 3 1 331.464 0.772 50 0 ECAAMP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CCO)C2)cc1OCCC[NH3+] ZINC000426399259 438057171 /nfs/dbraw/zinc/05/71/71/438057171.db2.gz QESOUIIQZCFYKL-MRXNPFEDSA-N 2 1 335.448 0.861 50 0 ECAAMP Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CCO)C2)cc1OCCC[NH3+] ZINC000426399259 438057181 /nfs/dbraw/zinc/05/71/81/438057181.db2.gz QESOUIIQZCFYKL-MRXNPFEDSA-N 2 1 335.448 0.861 50 0 ECAAMP O=S(=O)(NCC[NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000072469069 216249211 /nfs/dbraw/zinc/24/92/11/216249211.db2.gz URYMBVLLAWQXBU-AWEZNQCLSA-N 2 1 347.868 0.322 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000069709415 435960288 /nfs/dbraw/zinc/96/02/88/435960288.db2.gz HFRDAEHHCDJZAG-AWEZNQCLSA-N 2 1 335.514 0.293 50 0 ECAAMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000071877197 436023545 /nfs/dbraw/zinc/02/35/45/436023545.db2.gz QZGWRFWTVIZAIT-IRXDYDNUSA-N 2 1 329.448 0.984 50 0 ECAAMP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000071877197 436023552 /nfs/dbraw/zinc/02/35/52/436023552.db2.gz QZGWRFWTVIZAIT-IRXDYDNUSA-N 2 1 329.448 0.984 50 0 ECAAMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000071877198 436023934 /nfs/dbraw/zinc/02/39/34/436023934.db2.gz QZGWRFWTVIZAIT-IAGOWNOFSA-N 2 1 329.448 0.984 50 0 ECAAMP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000071877198 436023937 /nfs/dbraw/zinc/02/39/37/436023937.db2.gz QZGWRFWTVIZAIT-IAGOWNOFSA-N 2 1 329.448 0.984 50 0 ECAAMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000074171073 436112238 /nfs/dbraw/zinc/11/22/38/436112238.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000074171073 436112242 /nfs/dbraw/zinc/11/22/42/436112242.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 2 1 325.501 0.606 50 0 ECAAMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000074171073 436112246 /nfs/dbraw/zinc/11/22/46/436112246.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 2 1 325.501 0.606 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(Cc3ccccn3)CC2)C1 ZINC000096140601 436515035 /nfs/dbraw/zinc/51/50/35/436515035.db2.gz KHEMKAWGHRBMLW-VQIMIIECSA-N 2 1 343.475 0.267 50 0 ECAAMP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781238 436602159 /nfs/dbraw/zinc/60/21/59/436602159.db2.gz XWCQHFWNFJLUBN-UONOGXRCSA-N 2 1 335.452 0.828 50 0 ECAAMP CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063835494 436646732 /nfs/dbraw/zinc/64/67/32/436646732.db2.gz ZYZPJDQTEGUERK-HZPDHXFCSA-N 2 1 345.509 0.379 50 0 ECAAMP O=C(NCc1[nH]nc2c1CCC2)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000067935186 215253940 /nfs/dbraw/zinc/25/39/40/215253940.db2.gz HJTLTERPUPOFAF-BFUOFWGJSA-N 2 1 343.475 0.979 50 0 ECAAMP O=C(NCc1n[nH]c2c1CCC2)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000067935186 215253942 /nfs/dbraw/zinc/25/39/42/215253942.db2.gz HJTLTERPUPOFAF-BFUOFWGJSA-N 2 1 343.475 0.979 50 0 ECAAMP O=C(NCc1n[nH]c2c1CCC2)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000067935186 215253945 /nfs/dbraw/zinc/25/39/45/215253945.db2.gz HJTLTERPUPOFAF-BFUOFWGJSA-N 2 1 343.475 0.979 50 0 ECAAMP Cn1cnnc1C1CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072475663 216253126 /nfs/dbraw/zinc/25/31/26/216253126.db2.gz BHNALHNTKFAEHM-HNNXBMFYSA-N 2 1 346.479 0.595 50 0 ECAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH2+]CC2 ZINC000257182700 244079917 /nfs/dbraw/zinc/07/99/17/244079917.db2.gz GTXUJBAMBIMZOA-ZDUSSCGKSA-N 2 1 335.452 0.389 50 0 ECAAMP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000222787737 279027229 /nfs/dbraw/zinc/02/72/29/279027229.db2.gz OAEOYBIUOHMRBF-MRXNPFEDSA-N 2 1 332.448 0.885 50 0 ECAAMP CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071764430 436010823 /nfs/dbraw/zinc/01/08/23/436010823.db2.gz QWVYUQQTPGOQNH-INIZCTEOSA-N 2 1 336.480 0.483 50 0 ECAAMP CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071764430 436010827 /nfs/dbraw/zinc/01/08/27/436010827.db2.gz QWVYUQQTPGOQNH-INIZCTEOSA-N 2 1 336.480 0.483 50 0 ECAAMP Cc1nnc2n1CCN(C(=O)[C@@H]1CC3(C[N@@H+]1C)CC[NH2+]CC3)CC2 ZINC000072417858 436045423 /nfs/dbraw/zinc/04/54/23/436045423.db2.gz MITOVCZZTQRKKH-AWEZNQCLSA-N 2 1 332.452 0.045 50 0 ECAAMP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+](C)C1CC1 ZINC000079111335 436290304 /nfs/dbraw/zinc/29/03/04/436290304.db2.gz WCFNGSZUROFRGV-LBPRGKRZSA-N 2 1 342.403 0.805 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)C[C@@H]2C)C1 ZINC000089939001 436420822 /nfs/dbraw/zinc/42/08/22/436420822.db2.gz ADRWMNNXYAAYFH-JKSUJKDBSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)C1 ZINC000089939001 436420824 /nfs/dbraw/zinc/42/08/24/436420824.db2.gz ADRWMNNXYAAYFH-JKSUJKDBSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000089939001 436420827 /nfs/dbraw/zinc/42/08/27/436420827.db2.gz ADRWMNNXYAAYFH-JKSUJKDBSA-N 2 1 326.485 0.095 50 0 ECAAMP Cc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)sc1Cl ZINC000096141672 436515060 /nfs/dbraw/zinc/51/50/60/436515060.db2.gz CQLQVLFUBRWNDV-QMTHXVAHSA-N 2 1 328.869 0.915 50 0 ECAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C23C[NH2+]CC2C[NH2+]C3)cc1 ZINC000096179876 436519597 /nfs/dbraw/zinc/51/95/97/436519597.db2.gz HOKVMRLQXQXLJF-UHFFFAOYSA-N 3 1 325.416 0.606 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603246 /nfs/dbraw/zinc/60/32/46/436603246.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603249 /nfs/dbraw/zinc/60/32/49/436603249.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603252 /nfs/dbraw/zinc/60/32/52/436603252.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 2 1 335.492 0.866 50 0 ECAAMP Cc1cc(=O)[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)n1 ZINC000065406348 436660018 /nfs/dbraw/zinc/66/00/18/436660018.db2.gz OGTRXILTQMUMSY-FZKQIMNGSA-N 2 1 345.447 0.159 50 0 ECAAMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000065512188 436664622 /nfs/dbraw/zinc/66/46/22/436664622.db2.gz MJXQXHCHEVITBO-AWEZNQCLSA-N 2 1 330.436 0.866 50 0 ECAAMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490147 437187869 /nfs/dbraw/zinc/18/78/69/437187869.db2.gz GTCJHNKNRYMVKP-GASCZTMLSA-N 2 1 347.525 0.747 50 0 ECAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000097773112 219055950 /nfs/dbraw/zinc/05/59/50/219055950.db2.gz QUSMWGFHBUXCGZ-GOEBONIOSA-N 2 1 344.463 0.361 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000069820308 215598197 /nfs/dbraw/zinc/59/81/97/215598197.db2.gz MIILLBTYVNQRNY-AWEZNQCLSA-N 2 1 327.469 0.306 50 0 ECAAMP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+](C)C1CC1 ZINC000079111337 436292173 /nfs/dbraw/zinc/29/21/73/436292173.db2.gz WCFNGSZUROFRGV-GFCCVEGCSA-N 2 1 342.403 0.805 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604463 /nfs/dbraw/zinc/60/44/63/436604463.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604465 /nfs/dbraw/zinc/60/44/65/436604465.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604469 /nfs/dbraw/zinc/60/44/69/436604469.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H]1C[N@H+](C2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CCO1 ZINC000237600935 436739537 /nfs/dbraw/zinc/73/95/37/436739537.db2.gz KTSKCZVTDMQWFZ-HOCLYGCPSA-N 2 1 325.453 0.467 50 0 ECAAMP CCOC(=O)N1CCC([NH2+][C@H]2COC[C@@H]2N2CC[NH+](C)CC2)CC1 ZINC000534591441 439528474 /nfs/dbraw/zinc/52/84/74/439528474.db2.gz QYIGBUOFELXXAE-HOTGVXAUSA-N 2 1 340.468 0.212 50 0 ECAAMP c1cn(CC[NH+]2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)cn1 ZINC000072163273 216051313 /nfs/dbraw/zinc/05/13/13/216051313.db2.gz DMRWJNHJZABSPF-UHFFFAOYSA-N 2 1 329.452 0.391 50 0 ECAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)C[NH2+]C)CC1 ZINC000091872861 218082246 /nfs/dbraw/zinc/08/22/46/218082246.db2.gz JOORCJCATFDUMI-UHFFFAOYSA-N 2 1 345.451 0.777 50 0 ECAAMP COCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000069817524 435969392 /nfs/dbraw/zinc/96/93/92/435969392.db2.gz BENMSQMVMXZITH-OAHLLOKOSA-N 2 1 338.496 0.382 50 0 ECAAMP COCC[N@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000069817524 435969403 /nfs/dbraw/zinc/96/94/03/435969403.db2.gz BENMSQMVMXZITH-OAHLLOKOSA-N 2 1 338.496 0.382 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)nn1 ZINC000077339169 436233683 /nfs/dbraw/zinc/23/36/83/436233683.db2.gz RNINHAWVIDHGJX-CQSZACIVSA-N 2 1 344.419 0.337 50 0 ECAAMP [NH3+]CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)nn1 ZINC000077339169 436233687 /nfs/dbraw/zinc/23/36/87/436233687.db2.gz RNINHAWVIDHGJX-CQSZACIVSA-N 2 1 344.419 0.337 50 0 ECAAMP COc1ccc(F)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)c1F ZINC000096139579 436515474 /nfs/dbraw/zinc/51/54/74/436515474.db2.gz DHUUWXDEJKNMHY-QLJPJBMISA-N 2 1 325.359 0.741 50 0 ECAAMP C[C@@H](C1CCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)CC1)[NH+](C)C ZINC000096162300 436516921 /nfs/dbraw/zinc/51/69/21/436516921.db2.gz HWQQWGRMFVJXQC-AWEZNQCLSA-N 2 1 347.511 0.977 50 0 ECAAMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@@H]2C)C1 ZINC000107581057 436613822 /nfs/dbraw/zinc/61/38/22/436613822.db2.gz ADRWMNNXYAAYFH-HOTGVXAUSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+](C)C[C@@H]2C)C1 ZINC000107581057 436613824 /nfs/dbraw/zinc/61/38/24/436613824.db2.gz ADRWMNNXYAAYFH-HOTGVXAUSA-N 2 1 326.485 0.095 50 0 ECAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000107581057 436613827 /nfs/dbraw/zinc/61/38/27/436613827.db2.gz ADRWMNNXYAAYFH-HOTGVXAUSA-N 2 1 326.485 0.095 50 0 ECAAMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)CC1 ZINC000065397464 436657991 /nfs/dbraw/zinc/65/79/91/436657991.db2.gz IASKGXKSZUSNDG-CRAIPNDOSA-N 3 1 329.448 0.190 50 0 ECAAMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)CC1 ZINC000065397464 436657996 /nfs/dbraw/zinc/65/79/96/436657996.db2.gz IASKGXKSZUSNDG-CRAIPNDOSA-N 2 1 329.448 0.190 50 0 ECAAMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000237610296 436740348 /nfs/dbraw/zinc/74/03/48/436740348.db2.gz XUNHMAJYUOXJOY-SOUVJXGZSA-N 2 1 326.510 0.666 50 0 ECAAMP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478036 436832155 /nfs/dbraw/zinc/83/21/55/436832155.db2.gz AAMQMPBGTNGADJ-NVXWUHKLSA-N 2 1 325.453 0.420 50 0 ECAAMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCCOC2)O1 ZINC000252478036 436832160 /nfs/dbraw/zinc/83/21/60/436832160.db2.gz AAMQMPBGTNGADJ-NVXWUHKLSA-N 2 1 325.453 0.420 50 0 ECAAMP Cc1[nH+]cn(CC[NH2+][C@@H]2CCC(=O)N(CC(=O)N(C)C)CC2)c1C ZINC000670442908 548012342 /nfs/dbraw/zinc/01/23/42/548012342.db2.gz FZSMYSPVGAJYCQ-OAHLLOKOSA-N 2 1 335.452 0.559 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940605 549726938 /nfs/dbraw/zinc/72/69/38/549726938.db2.gz PRIJUFIEQGZAHT-JYJNAYRXSA-N 3 1 326.485 0.307 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940605 549726940 /nfs/dbraw/zinc/72/69/40/549726940.db2.gz PRIJUFIEQGZAHT-JYJNAYRXSA-N 2 1 326.485 0.307 50 0 ECAAMP Cc1nnc([C@H]2CC[N@@H+](CCC(C)C)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169786494 609746220 /nfs/dbraw/zinc/74/62/20/609746220.db2.gz NAJQSCGANWNREF-LSDHHAIUSA-N 2 1 336.484 0.995 50 0 ECAAMP Cc1nnc([C@H]2CC[N@H+](CCC(C)C)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169786494 609746221 /nfs/dbraw/zinc/74/62/21/609746221.db2.gz NAJQSCGANWNREF-LSDHHAIUSA-N 2 1 336.484 0.995 50 0 ECAAMP CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)[C@H]1CCC[NH+](CC(N)=O)C1 ZINC000091595009 218029589 /nfs/dbraw/zinc/02/95/89/218029589.db2.gz SBXQLDVBSRBEQS-INIZCTEOSA-N 2 1 344.459 0.788 50 0 ECAAMP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091595009 218029591 /nfs/dbraw/zinc/02/95/91/218029591.db2.gz SBXQLDVBSRBEQS-INIZCTEOSA-N 2 1 344.459 0.788 50 0 ECAAMP CN(Cc1ccc2c(c1)C[NH+](C)C2)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091595009 218029592 /nfs/dbraw/zinc/02/95/92/218029592.db2.gz SBXQLDVBSRBEQS-INIZCTEOSA-N 2 1 344.459 0.788 50 0 ECAAMP C[NH2+]CC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095387160 218318724 /nfs/dbraw/zinc/31/87/24/218318724.db2.gz DPPNSHSPTCNFOZ-CYBMUJFWSA-N 2 1 331.424 0.294 50 0 ECAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CN2CCOCC2)C(C)C)CC1 ZINC000095941473 285299128 /nfs/dbraw/zinc/29/91/28/285299128.db2.gz SIJXCTCWOKJYEQ-IAGOWNOFSA-N 2 1 340.512 0.485 50 0 ECAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000082146037 436363811 /nfs/dbraw/zinc/36/38/11/436363811.db2.gz WKDHIJYRGFMKMK-INIZCTEOSA-N 2 1 335.452 0.349 50 0 ECAAMP Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)nc(N)[nH+]1 ZINC000091289578 436449075 /nfs/dbraw/zinc/44/90/75/436449075.db2.gz RXZCIHXJKAIAQB-HUUCEWRRSA-N 2 1 334.468 0.049 50 0 ECAAMP Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)nc(N)[nH+]1 ZINC000091289578 436449077 /nfs/dbraw/zinc/44/90/77/436449077.db2.gz RXZCIHXJKAIAQB-HUUCEWRRSA-N 2 1 334.468 0.049 50 0 ECAAMP Cc1cc(N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)nc(N)[nH+]1 ZINC000091289578 436449079 /nfs/dbraw/zinc/44/90/79/436449079.db2.gz RXZCIHXJKAIAQB-HUUCEWRRSA-N 2 1 334.468 0.049 50 0 ECAAMP CN(Cc1cnc2ccccc2n1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000096161789 436518129 /nfs/dbraw/zinc/51/81/29/436518129.db2.gz BGUNGVLDXNVQGL-FZKQIMNGSA-N 2 1 325.416 0.739 50 0 ECAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072410473 216202187 /nfs/dbraw/zinc/20/21/87/216202187.db2.gz ACISODIMLKRAJK-ZDUSSCGKSA-N 2 1 337.493 0.848 50 0 ECAAMP CC[NH+]1CCC(Cn2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)nn2)CC1 ZINC000023339851 212369556 /nfs/dbraw/zinc/36/95/56/212369556.db2.gz NOBMYNQTBQJHAG-OAHLLOKOSA-N 2 1 334.468 0.707 50 0 ECAAMP CC[NH+]1CCC(Cn2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)nn2)CC1 ZINC000023339851 212369558 /nfs/dbraw/zinc/36/95/58/212369558.db2.gz NOBMYNQTBQJHAG-OAHLLOKOSA-N 2 1 334.468 0.707 50 0 ECAAMP CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1 ZINC000012002054 211277915 /nfs/dbraw/zinc/27/79/15/211277915.db2.gz NKVZTRZSLWIMCI-MRXNPFEDSA-N 2 1 338.496 0.777 50 0 ECAAMP CCn1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cn1 ZINC000091706775 218051973 /nfs/dbraw/zinc/05/19/73/218051973.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 2 1 335.496 0.581 50 0 ECAAMP CCn1cc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cn1 ZINC000091706775 218051974 /nfs/dbraw/zinc/05/19/74/218051974.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 2 1 335.496 0.581 50 0 ECAAMP CCn1cc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cn1 ZINC000091706775 218051977 /nfs/dbraw/zinc/05/19/77/218051977.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 2 1 335.496 0.581 50 0 ECAAMP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261646873 165220787 /nfs/dbraw/zinc/22/07/87/165220787.db2.gz JATAZRHGTVZRED-QGZVFWFLSA-N 2 1 346.475 0.740 50 0 ECAAMP CC(C)[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CCC[N@H+]1CC1CC1 ZINC000071764375 436009587 /nfs/dbraw/zinc/00/95/87/436009587.db2.gz CZXIPFKPMRABEJ-MRXNPFEDSA-N 2 1 334.468 0.819 50 0 ECAAMP O[C@@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)C[NH2+]CCOC1 ZINC000077471657 436238603 /nfs/dbraw/zinc/23/86/03/436238603.db2.gz UYDRARDEXGSYJV-QGZVFWFLSA-N 2 1 331.420 0.260 50 0 ECAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCO)CC2)C1)N1CCOCC1 ZINC000082087691 436361305 /nfs/dbraw/zinc/36/13/05/436361305.db2.gz RFICNSASDCXAFK-MRXNPFEDSA-N 2 1 339.480 0.404 50 0 ECAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCO)CC2)C1)N1CCOCC1 ZINC000082087691 436361307 /nfs/dbraw/zinc/36/13/07/436361307.db2.gz RFICNSASDCXAFK-MRXNPFEDSA-N 2 1 339.480 0.404 50 0 ECAAMP [NH3+]C[C@@H](O)CC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082162168 436362883 /nfs/dbraw/zinc/36/28/83/436362883.db2.gz UOOHPFHUYIUVEO-KRWDZBQOSA-N 2 1 349.479 0.747 50 0 ECAAMP Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)nc(N2CCCC2)[nH+]1 ZINC000092046694 436467482 /nfs/dbraw/zinc/46/74/82/436467482.db2.gz KUBKWXCITHFKHH-HZPDHXFCSA-N 2 1 349.479 0.354 50 0 ECAAMP Cc1cc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(N(C)C)[nH+]1 ZINC000095523573 436499203 /nfs/dbraw/zinc/49/92/03/436499203.db2.gz CTLMQBPYGPQXSF-GASCZTMLSA-N 3 1 330.480 0.971 50 0 ECAAMP Cc1cc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(N(C)C)n1 ZINC000095523573 436499206 /nfs/dbraw/zinc/49/92/06/436499206.db2.gz CTLMQBPYGPQXSF-GASCZTMLSA-N 2 1 330.480 0.971 50 0 ECAAMP Cc1cc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(N(C)C)n1 ZINC000095523573 436499209 /nfs/dbraw/zinc/49/92/09/436499209.db2.gz CTLMQBPYGPQXSF-GASCZTMLSA-N 2 1 330.480 0.971 50 0 ECAAMP CCc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)no1 ZINC000065382952 436655581 /nfs/dbraw/zinc/65/55/81/436655581.db2.gz JSDYBQXEPXYIHK-FZKQIMNGSA-N 2 1 347.463 0.755 50 0 ECAAMP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000241693926 436758837 /nfs/dbraw/zinc/75/88/37/436758837.db2.gz QIWGSAFCLKQBPN-KSZLIROESA-N 2 1 327.513 0.856 50 0 ECAAMP CC[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333815603 320927117 /nfs/dbraw/zinc/92/71/17/320927117.db2.gz KAYCGRUBKRJGKA-VYDXJSESSA-N 2 1 325.453 0.182 50 0 ECAAMP C[N@H+]1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@H]2C1 ZINC000244646902 545934824 /nfs/dbraw/zinc/93/48/24/545934824.db2.gz GRDZGMOMOGATLL-GOSISDBHSA-N 2 1 328.460 0.851 50 0 ECAAMP O[C@@H]1CCC[N@@H+](CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)C1 ZINC000072476021 216254408 /nfs/dbraw/zinc/25/44/08/216254408.db2.gz DSLGLVAQAZXBIY-CQSZACIVSA-N 2 1 331.464 0.911 50 0 ECAAMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)Cn1ccnc1 ZINC000095416644 218355799 /nfs/dbraw/zinc/35/57/99/218355799.db2.gz QBEPUWDEZGGXJS-OAHLLOKOSA-N 2 1 329.452 0.851 50 0 ECAAMP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091269585 436448179 /nfs/dbraw/zinc/44/81/79/436448179.db2.gz XIZWEAMDVCYAKT-QKPAOTATSA-N 2 1 349.479 0.981 50 0 ECAAMP COCC[NH+]1CCC(CN(C)C(=O)[C@H]([NH3+])c2c(C)n[nH]c2C)CC1 ZINC000091663028 436456261 /nfs/dbraw/zinc/45/62/61/436456261.db2.gz PFROYLDWVQXJLG-MRXNPFEDSA-N 2 1 337.468 0.843 50 0 ECAAMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c(N)n3)C[C@H]2CCO)CC1 ZINC000106976276 436607569 /nfs/dbraw/zinc/60/75/69/436607569.db2.gz HNZYHFTZEVACDR-MRXNPFEDSA-N 2 1 348.495 0.805 50 0 ECAAMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000230477120 436716241 /nfs/dbraw/zinc/71/62/41/436716241.db2.gz HWEGKPQSVKSYDZ-KFWWJZLASA-N 2 1 326.485 0.956 50 0 ECAAMP C[N@H+]1CCOC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000584896494 439626229 /nfs/dbraw/zinc/62/62/29/439626229.db2.gz BDPKNGRCZBQQGX-HNNXBMFYSA-N 2 1 333.436 0.491 50 0 ECAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCNC(=O)c1cccnc1)CC[NH2+]CC2 ZINC000072430909 216223331 /nfs/dbraw/zinc/22/33/31/216223331.db2.gz NFGPQWCTXIEHOR-OAHLLOKOSA-N 2 1 345.447 0.002 50 0 ECAAMP O=C(C[N@@H+]1CCC[C@@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069698118 435959214 /nfs/dbraw/zinc/95/92/14/435959214.db2.gz YSDQKLKZUYAHSU-MRXNPFEDSA-N 2 1 332.452 0.486 50 0 ECAAMP O=C(C[N@H+]1CCC[C@@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069698118 435959220 /nfs/dbraw/zinc/95/92/20/435959220.db2.gz YSDQKLKZUYAHSU-MRXNPFEDSA-N 2 1 332.452 0.486 50 0 ECAAMP C[NH+]1CCN([C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2O)CC1 ZINC000065460748 436663041 /nfs/dbraw/zinc/66/30/41/436663041.db2.gz PHGNPGYHZPOEBE-ROUUACIJSA-N 2 1 342.447 0.060 50 0 ECAAMP C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2O)CC1 ZINC000065460748 436663045 /nfs/dbraw/zinc/66/30/45/436663045.db2.gz PHGNPGYHZPOEBE-ROUUACIJSA-N 2 1 342.447 0.060 50 0 ECAAMP O=C(C[N@@H+]1CCCC[C@@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069521080 436777258 /nfs/dbraw/zinc/77/72/58/436777258.db2.gz IWWWPEJGUQZREK-QGZVFWFLSA-N 2 1 346.479 0.876 50 0 ECAAMP O=C(C[N@H+]1CCCC[C@@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069521080 436777261 /nfs/dbraw/zinc/77/72/61/436777261.db2.gz IWWWPEJGUQZREK-QGZVFWFLSA-N 2 1 346.479 0.876 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069521024 436777307 /nfs/dbraw/zinc/77/73/07/436777307.db2.gz LHMPOFILRAINDB-MRXNPFEDSA-N 2 1 334.468 0.733 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2cncn2)CC1 ZINC000069521024 436777310 /nfs/dbraw/zinc/77/73/10/436777310.db2.gz LHMPOFILRAINDB-MRXNPFEDSA-N 2 1 334.468 0.733 50 0 ECAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C)c(=O)c1 ZINC000069534336 436780047 /nfs/dbraw/zinc/78/00/47/436780047.db2.gz SDJXGZWGQQGHCK-MRXNPFEDSA-N 2 1 334.464 0.873 50 0 ECAAMP CCOCc1nc2c(c(N3CC[N@H+]4CCC[C@H]4C3)n1)CC[NH2+]CC2 ZINC000243956985 545934381 /nfs/dbraw/zinc/93/43/81/545934381.db2.gz CFFOFVKPDHZWPW-AWEZNQCLSA-N 2 1 331.464 0.986 50 0 ECAAMP Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091624678 218033282 /nfs/dbraw/zinc/03/32/82/218033282.db2.gz LZKUPIDSVSOOKB-CVEARBPZSA-N 2 1 344.463 0.346 50 0 ECAAMP CNc1nc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])[nH+]c2c1CCC2 ZINC000091562840 218022784 /nfs/dbraw/zinc/02/27/84/218022784.db2.gz JNFGJEQQYOJVEL-CABCVRRESA-N 2 1 347.463 0.702 50 0 ECAAMP CCCn1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000095365778 218298165 /nfs/dbraw/zinc/29/81/65/218298165.db2.gz JVNNEUNPIHGGCU-RTBURBONSA-N 2 1 349.523 0.889 50 0 ECAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114935 277020282 /nfs/dbraw/zinc/02/02/82/277020282.db2.gz UHMIKZPJVMEJIM-HNNXBMFYSA-N 2 1 336.480 0.531 50 0 ECAAMP NC(=O)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)CC1 ZINC000065387903 295035762 /nfs/dbraw/zinc/03/57/62/295035762.db2.gz NXHBIYSHLNUPBO-RDTXWAMCSA-N 2 1 334.464 0.174 50 0 ECAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072409158 436045218 /nfs/dbraw/zinc/04/52/18/436045218.db2.gz DASUFQRHAXDTCK-HNNXBMFYSA-N 2 1 341.452 0.640 50 0 ECAAMP CC(C)[N@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(=O)C2CC2)C3)CC1 ZINC000065395853 436657090 /nfs/dbraw/zinc/65/70/90/436657090.db2.gz HRMMXYGKJVBHGO-VQIMIIECSA-N 2 1 348.491 0.387 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000065393655 436658144 /nfs/dbraw/zinc/65/81/44/436658144.db2.gz OOHQMFYMYSMHAN-RDTXWAMCSA-N 2 1 331.416 0.615 50 0 ECAAMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065624431 436670380 /nfs/dbraw/zinc/67/03/80/436670380.db2.gz CNZZINMNRFMICJ-IHRRRGAJSA-N 2 1 340.468 0.652 50 0 ECAAMP COc1ccc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)cc1OCC[NH3+] ZINC000426615215 438069287 /nfs/dbraw/zinc/06/92/87/438069287.db2.gz VHVONMWZWUKNTE-ZDUSSCGKSA-N 2 1 337.420 0.341 50 0 ECAAMP C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)C[NH+]2CCCCCCC2)CC1 ZINC000534673151 439533944 /nfs/dbraw/zinc/53/39/44/439533944.db2.gz KXKPAIMDVGWJLD-IRXDYDNUSA-N 2 1 338.496 0.384 50 0 ECAAMP C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122191 439633121 /nfs/dbraw/zinc/63/31/21/439633121.db2.gz QCEOWTDXUWGTJX-HNNXBMFYSA-N 2 1 338.496 0.905 50 0 ECAAMP C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122191 439633125 /nfs/dbraw/zinc/63/31/25/439633125.db2.gz QCEOWTDXUWGTJX-HNNXBMFYSA-N 2 1 338.496 0.905 50 0 ECAAMP C[N@@H+]1CCN(c2cc[nH+]c(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230180638 536424670 /nfs/dbraw/zinc/42/46/70/536424670.db2.gz ALEUPZPGFYLWAY-GOSISDBHSA-N 2 1 344.463 0.972 50 0 ECAAMP C[N@H+]1CCN(c2cc[nH+]c(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230180638 536424673 /nfs/dbraw/zinc/42/46/73/536424673.db2.gz ALEUPZPGFYLWAY-GOSISDBHSA-N 2 1 344.463 0.972 50 0 ECAAMP CSCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952989581 612140280 /nfs/dbraw/zinc/14/02/80/612140280.db2.gz RZBDIOYKTSZUAO-CYBMUJFWSA-N 2 1 342.509 0.127 50 0 ECAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299774000 742099166 /nfs/dbraw/zinc/09/91/66/742099166.db2.gz DHHYSLRWVGIUSY-LBPRGKRZSA-N 2 1 349.435 0.310 50 0 ECAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC000299774000 742099171 /nfs/dbraw/zinc/09/91/71/742099171.db2.gz DHHYSLRWVGIUSY-LBPRGKRZSA-N 2 1 349.435 0.310 50 0 ECAAMP CCNc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)cn1 ZINC000072422303 216211115 /nfs/dbraw/zinc/21/11/15/216211115.db2.gz XGUGWRXZKVMIGU-JKSUJKDBSA-N 2 1 346.479 0.941 50 0 ECAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NCc1cc(=O)[nH]cn1)CC[NH+](C)CC2 ZINC000072458795 216243927 /nfs/dbraw/zinc/24/39/27/216243927.db2.gz FZOLWVNSYNNRIG-HNNXBMFYSA-N 2 1 347.463 0.582 50 0 ECAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072409157 436044516 /nfs/dbraw/zinc/04/45/16/436044516.db2.gz DASUFQRHAXDTCK-OAHLLOKOSA-N 2 1 341.452 0.640 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000075131247 436153161 /nfs/dbraw/zinc/15/31/61/436153161.db2.gz AYKUQTZNLBRCSZ-OAHLLOKOSA-N 2 1 335.448 0.766 50 0 ECAAMP CCCn1cnnc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065467452 436662589 /nfs/dbraw/zinc/66/25/89/436662589.db2.gz NPPRQYKOLMBDRC-RDTXWAMCSA-N 2 1 346.479 0.768 50 0 ECAAMP CCOC(=O)CCN1CCC[N@@H+](C)CCN(C)CCC[NH+](C)CC1 ZINC000068606328 436750361 /nfs/dbraw/zinc/75/03/61/436750361.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CCN1CCC[NH+](C)CCN(C)CCC[N@H+](C)CC1 ZINC000068606328 436750363 /nfs/dbraw/zinc/75/03/63/436750363.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CCN1CCC[NH+](C)CCN(C)CCC[N@@H+](C)CC1 ZINC000068606328 436750365 /nfs/dbraw/zinc/75/03/65/436750365.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CC[N@@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068606328 436750368 /nfs/dbraw/zinc/75/03/68/436750368.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CC[N@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068606328 436750370 /nfs/dbraw/zinc/75/03/70/436750370.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CC[NH+]1CCCN(C)CC[N@H+](C)CCCN(C)CC1 ZINC000068606328 436750372 /nfs/dbraw/zinc/75/03/72/436750372.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP CCOC(=O)CC[NH+]1CCCN(C)CC[N@@H+](C)CCCN(C)CC1 ZINC000068606328 436750374 /nfs/dbraw/zinc/75/03/74/436750374.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 1 342.528 0.831 50 0 ECAAMP C[C@@H]1C[NH+](C)CCN1C(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000239637087 436758182 /nfs/dbraw/zinc/75/81/82/436758182.db2.gz BITFGGYELRZCOU-HZPDHXFCSA-N 2 1 338.496 0.872 50 0 ECAAMP C[C@@H]1C[NH+](C)CCN1C(=O)CCCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000239637087 436758185 /nfs/dbraw/zinc/75/81/85/436758185.db2.gz BITFGGYELRZCOU-HZPDHXFCSA-N 2 1 338.496 0.872 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000408519097 438581934 /nfs/dbraw/zinc/58/19/34/438581934.db2.gz ZLPFWOWCLYHFCN-QGZVFWFLSA-N 2 1 338.496 0.337 50 0 ECAAMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000408519097 438581935 /nfs/dbraw/zinc/58/19/35/438581935.db2.gz ZLPFWOWCLYHFCN-QGZVFWFLSA-N 2 1 338.496 0.337 50 0 ECAAMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000952968669 612138962 /nfs/dbraw/zinc/13/89/62/612138962.db2.gz HVLFCZFZHFWSEW-HNNXBMFYSA-N 2 1 343.493 0.238 50 0 ECAAMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000952968669 612138963 /nfs/dbraw/zinc/13/89/63/612138963.db2.gz HVLFCZFZHFWSEW-HNNXBMFYSA-N 2 1 343.493 0.238 50 0 ECAAMP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC2)cc(C)[nH+]1 ZINC000082139265 612323203 /nfs/dbraw/zinc/32/32/03/612323203.db2.gz PWVJWIOKWPGRNH-INIZCTEOSA-N 2 1 328.420 0.640 50 0 ECAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CC[NH3+])CC1 ZINC000091665382 218043938 /nfs/dbraw/zinc/04/39/38/218043938.db2.gz VXNKBSBPNFOXKG-UHFFFAOYSA-N 2 1 345.451 0.906 50 0 ECAAMP C[C@@H](CCN1CCCC1=O)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416665 278231404 /nfs/dbraw/zinc/23/14/04/278231404.db2.gz OEKAZFBPAKCLTH-HNNXBMFYSA-N 2 1 346.479 0.719 50 0 ECAAMP CC[NH+]1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2cnn3C)CC1 ZINC000021930052 436116940 /nfs/dbraw/zinc/11/69/40/436116940.db2.gz AEULEINZDKYLGY-UHFFFAOYSA-N 2 1 344.467 0.257 50 0 ECAAMP Cc1cccnc1CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)CC1 ZINC000065383093 436655795 /nfs/dbraw/zinc/65/57/95/436655795.db2.gz PRARCENEBMVIQM-VQIMIIECSA-N 2 1 343.475 0.185 50 0 ECAAMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3nccn4c(=O)[nH]nc34)C2)CC1 ZINC000067350078 436712573 /nfs/dbraw/zinc/71/25/73/436712573.db2.gz GTFKLVNTBKIOQJ-ZDUSSCGKSA-N 2 1 331.424 0.070 50 0 ECAAMP CC[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333815601 437289310 /nfs/dbraw/zinc/28/93/10/437289310.db2.gz KAYCGRUBKRJGKA-HLLBOEOZSA-N 2 1 325.453 0.182 50 0 ECAAMP C[NH+]1CCC(N2CCN(c3cc([C@H]4CCOC4)[nH+]c(N)n3)CC2)CC1 ZINC000426408928 438056128 /nfs/dbraw/zinc/05/61/28/438056128.db2.gz KKLKILNWLGUAMU-AWEZNQCLSA-N 2 1 346.479 0.779 50 0 ECAAMP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262713392 535055901 /nfs/dbraw/zinc/05/59/01/535055901.db2.gz SHAMZDCPSPTIPA-SJORKVTESA-N 2 1 346.475 0.983 50 0 ECAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCC1(Cn3cccn3)CC1)CC[NH2+]CC2 ZINC000072431342 216223532 /nfs/dbraw/zinc/22/35/32/216223532.db2.gz DFZNHELKHFSXTE-HNNXBMFYSA-N 2 1 331.464 0.853 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179566 /nfs/dbraw/zinc/17/95/66/242179566.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179570 /nfs/dbraw/zinc/17/95/70/242179570.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 2 1 335.492 0.866 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179575 /nfs/dbraw/zinc/17/95/75/242179575.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 2 1 335.492 0.866 50 0 ECAAMP [NH3+][C@H]1C[C@H](c2nnc(C[NH2+]CCN3CCC(O)CC3)n2C2CC2)C1 ZINC000244788005 243082802 /nfs/dbraw/zinc/08/28/02/243082802.db2.gz QHNQZNOTXZZFOZ-JOCQHMNTSA-N 2 1 334.468 0.364 50 0 ECAAMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000165477732 226124494 /nfs/dbraw/zinc/12/44/94/226124494.db2.gz BMNNPUGSOVABLR-CZUORRHYSA-N 2 1 339.386 0.768 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738446 435961824 /nfs/dbraw/zinc/96/18/24/435961824.db2.gz DIBJKSBMBZZDBP-SJLPKXTDSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738446 435961827 /nfs/dbraw/zinc/96/18/27/435961827.db2.gz DIBJKSBMBZZDBP-SJLPKXTDSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@H](C1CCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)CC1)[NH+](C)C ZINC000096162301 436517307 /nfs/dbraw/zinc/51/73/07/436517307.db2.gz HWQQWGRMFVJXQC-CQSZACIVSA-N 2 1 347.511 0.977 50 0 ECAAMP O=C(N1CCCNC(=O)C1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065508592 436665243 /nfs/dbraw/zinc/66/52/43/436665243.db2.gz FBENTTHTNFKRAL-VQIMIIECSA-N 2 1 342.443 0.057 50 0 ECAAMP C[NH+]1CCC([NH+]2CCC(CNc3cncc(C(N)=O)n3)CC2)CC1 ZINC000534642210 439532341 /nfs/dbraw/zinc/53/23/41/439532341.db2.gz VMXJGAKBAUUKDW-UHFFFAOYSA-N 2 1 332.452 0.794 50 0 ECAAMP COCC(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244574861 545934443 /nfs/dbraw/zinc/93/44/43/545934443.db2.gz CSKIWDVKZNGLEE-GASCZTMLSA-N 2 1 349.479 0.869 50 0 ECAAMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583030 283360049 /nfs/dbraw/zinc/36/00/49/283360049.db2.gz CNZZINMNRFMICJ-HZSPNIEDSA-N 2 1 340.468 0.652 50 0 ECAAMP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583030 283360050 /nfs/dbraw/zinc/36/00/50/283360050.db2.gz CNZZINMNRFMICJ-HZSPNIEDSA-N 2 1 340.468 0.652 50 0 ECAAMP C[N@@H+]1CCCn2nc(CN3CC[NH+](CCn4ccnc4)CC3)cc2C1 ZINC000072142190 216027452 /nfs/dbraw/zinc/02/74/52/216027452.db2.gz LYRRGSWRPPTUDX-UHFFFAOYSA-N 2 1 343.479 0.733 50 0 ECAAMP C[N@H+]1CCCn2nc(CN3CC[NH+](CCn4ccnc4)CC3)cc2C1 ZINC000072142190 216027455 /nfs/dbraw/zinc/02/74/55/216027455.db2.gz LYRRGSWRPPTUDX-UHFFFAOYSA-N 2 1 343.479 0.733 50 0 ECAAMP C[N@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)C1 ZINC000072146762 216033759 /nfs/dbraw/zinc/03/37/59/216033759.db2.gz NKCCEMDDSSWCNZ-QGZVFWFLSA-N 2 1 346.523 0.836 50 0 ECAAMP C[C@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)N1CC[NH+](C)CC1 ZINC000072474522 216251134 /nfs/dbraw/zinc/25/11/34/216251134.db2.gz GUWBVUONPCHSQH-OAHLLOKOSA-N 2 1 343.479 0.876 50 0 ECAAMP OC[C@H]1CCC[N@H+](C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC000072476970 216254735 /nfs/dbraw/zinc/25/47/35/216254735.db2.gz IOBMDXSCGNWKOS-HNNXBMFYSA-N 2 1 345.491 0.838 50 0 ECAAMP CC(C)(C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H](O)C1)N1CCOCC1 ZINC000097600987 219039309 /nfs/dbraw/zinc/03/93/09/219039309.db2.gz OXZWUOUDHGQOBX-QGZVFWFLSA-N 2 1 334.464 0.675 50 0 ECAAMP Cc1c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000237748619 165097801 /nfs/dbraw/zinc/09/78/01/165097801.db2.gz XFVAWCMBMUGHAR-HNNXBMFYSA-N 2 1 332.452 0.821 50 0 ECAAMP Cc1c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000237748619 165097807 /nfs/dbraw/zinc/09/78/07/165097807.db2.gz XFVAWCMBMUGHAR-HNNXBMFYSA-N 2 1 332.452 0.821 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237618876 297033052 /nfs/dbraw/zinc/03/30/52/297033052.db2.gz SLNZMTOGHRJRML-DAYGRLMNSA-N 2 1 347.459 0.900 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000237618876 297033054 /nfs/dbraw/zinc/03/30/54/297033054.db2.gz SLNZMTOGHRJRML-DAYGRLMNSA-N 2 1 347.459 0.900 50 0 ECAAMP O=C(C[NH2+]CCn1cccn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071879166 436025041 /nfs/dbraw/zinc/02/50/41/436025041.db2.gz AGAUTBVJZQOUIO-QGZVFWFLSA-N 2 1 327.432 0.863 50 0 ECAAMP Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000077458089 436237590 /nfs/dbraw/zinc/23/75/90/436237590.db2.gz YTEJEMOQSULKHR-HNNXBMFYSA-N 2 1 342.447 0.797 50 0 ECAAMP O[C@@]1(CN2CC[NH+](C/C=C/c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000077323357 436233402 /nfs/dbraw/zinc/23/34/02/436233402.db2.gz DXDYHQMSOGSIFI-ZLHKHBAESA-N 2 1 331.460 0.668 50 0 ECAAMP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195000575 436675088 /nfs/dbraw/zinc/67/50/88/436675088.db2.gz NTIJIYURTBCPIK-QBPKDAKJSA-N 2 1 346.475 0.236 50 0 ECAAMP CC(C)Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NCCO)[nH+]1 ZINC000253415549 436843952 /nfs/dbraw/zinc/84/39/52/436843952.db2.gz VJRMTTNUHKUKPA-OLZOCXBDSA-N 2 1 335.456 0.769 50 0 ECAAMP CC(C)Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NCCO)[nH+]1 ZINC000253415549 436843954 /nfs/dbraw/zinc/84/39/54/436843954.db2.gz VJRMTTNUHKUKPA-OLZOCXBDSA-N 2 1 335.456 0.769 50 0 ECAAMP CC(C)[NH+]1CCC(N2CCN(c3cc(N)[nH+]cn3)C[C@@H]2CCO)CC1 ZINC000072429499 216220815 /nfs/dbraw/zinc/22/08/15/216220815.db2.gz SHULAXLPUZNDQG-INIZCTEOSA-N 2 1 348.495 0.805 50 0 ECAAMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000252585337 288146339 /nfs/dbraw/zinc/14/63/39/288146339.db2.gz HWEGKPQSVKSYDZ-ILXRZTDVSA-N 2 1 326.485 0.956 50 0 ECAAMP Cc1nnc(NC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000069977213 435979123 /nfs/dbraw/zinc/97/91/23/435979123.db2.gz PDVOMAAPYWHKCN-UHFFFAOYSA-N 2 1 327.454 0.421 50 0 ECAAMP Cc1nnc(NC(=O)C[N@@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000069977213 435979125 /nfs/dbraw/zinc/97/91/25/435979125.db2.gz PDVOMAAPYWHKCN-UHFFFAOYSA-N 2 1 327.454 0.421 50 0 ECAAMP CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2C1 ZINC000082146040 436362854 /nfs/dbraw/zinc/36/28/54/436362854.db2.gz WKDHIJYRGFMKMK-MRXNPFEDSA-N 2 1 335.452 0.349 50 0 ECAAMP COCC[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])c2c(C)n[nH]c2C)CC1 ZINC000091663027 436457775 /nfs/dbraw/zinc/45/77/75/436457775.db2.gz PFROYLDWVQXJLG-INIZCTEOSA-N 2 1 337.468 0.843 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869156 436603301 /nfs/dbraw/zinc/60/33/01/436603301.db2.gz CKOXUYOBWGODAG-FUHIMQAGSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869156 436603304 /nfs/dbraw/zinc/60/33/04/436603304.db2.gz CKOXUYOBWGODAG-FUHIMQAGSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869156 436603306 /nfs/dbraw/zinc/60/33/06/436603306.db2.gz CKOXUYOBWGODAG-FUHIMQAGSA-N 2 1 347.503 0.793 50 0 ECAAMP COC(=O)c1c(OC[C@H]2CCC[N@@H+](C)C2)cc(=O)n2c1CC[NH2+]CC2 ZINC000299774392 437112622 /nfs/dbraw/zinc/11/26/22/437112622.db2.gz HMIWIBRSJKJKBA-ZDUSSCGKSA-N 2 1 349.431 0.501 50 0 ECAAMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CSC[NH2+]1 ZINC000178832744 437233285 /nfs/dbraw/zinc/23/32/85/437233285.db2.gz GRBQQGFLWQMQJJ-MRXNPFEDSA-N 2 1 335.473 0.922 50 0 ECAAMP O=S(=O)(Cc1ccon1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178975918 437247139 /nfs/dbraw/zinc/24/71/39/437247139.db2.gz GLWMTGIBIJYBSC-UHFFFAOYSA-N 2 1 328.438 0.122 50 0 ECAAMP CCOCC[NH+]1CCN(C(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)CC1 ZINC000426668317 438069801 /nfs/dbraw/zinc/06/98/01/438069801.db2.gz LMDZYORRFSBSFM-INIZCTEOSA-N 2 1 349.479 0.531 50 0 ECAAMP C[NH+]1CCN([C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)CC1 ZINC000216275142 536418385 /nfs/dbraw/zinc/41/83/85/536418385.db2.gz KIFOFWXTBYEJHL-OALUTQOASA-N 2 1 341.459 0.665 50 0 ECAAMP C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2O)CC1 ZINC000216275142 536418387 /nfs/dbraw/zinc/41/83/87/536418387.db2.gz KIFOFWXTBYEJHL-OALUTQOASA-N 2 1 341.459 0.665 50 0 ECAAMP CC[NH+]1CCN(Cc2cc(C(=O)NC[C@]3(C)CC[N@H+](C)C3)no2)CC1 ZINC000067817251 215219703 /nfs/dbraw/zinc/21/97/03/215219703.db2.gz ALDVPPIVXTUELX-SFHVURJKSA-N 2 1 349.479 0.884 50 0 ECAAMP CC[NH+]1CCN(Cc2cc(C(=O)NC[C@]3(C)CC[N@@H+](C)C3)no2)CC1 ZINC000067817251 215219707 /nfs/dbraw/zinc/21/97/07/215219707.db2.gz ALDVPPIVXTUELX-SFHVURJKSA-N 2 1 349.479 0.884 50 0 ECAAMP [NH3+]CCc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)cc1 ZINC000216987414 241228614 /nfs/dbraw/zinc/22/86/14/241228614.db2.gz ZNKGSYQQQDAGFF-IBGZPJMESA-N 2 1 333.476 0.845 50 0 ECAAMP CNc1cc[nH+]c(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)n1 ZINC000095373230 218304915 /nfs/dbraw/zinc/30/49/15/218304915.db2.gz QTQOGWFJJWRGFL-HUUCEWRRSA-N 2 1 335.452 0.267 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c2)CCO1 ZINC000299751621 258007079 /nfs/dbraw/zinc/00/70/79/258007079.db2.gz RAXVADJQQWSUBX-COXVUDFISA-N 2 1 333.432 0.246 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c2)CCO1 ZINC000299751621 258007080 /nfs/dbraw/zinc/00/70/80/258007080.db2.gz RAXVADJQQWSUBX-COXVUDFISA-N 2 1 333.432 0.246 50 0 ECAAMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065624429 277004492 /nfs/dbraw/zinc/00/44/92/277004492.db2.gz CNZZINMNRFMICJ-MJBXVCDLSA-N 2 1 340.468 0.652 50 0 ECAAMP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065624429 277004493 /nfs/dbraw/zinc/00/44/93/277004493.db2.gz CNZZINMNRFMICJ-MJBXVCDLSA-N 2 1 340.468 0.652 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2nncs2)CC1 ZINC000069924554 278395156 /nfs/dbraw/zinc/39/51/56/278395156.db2.gz FMJBXIVBBAIJGP-LLVKDONJSA-N 2 1 327.454 0.501 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2nncs2)CC1 ZINC000069924554 278395157 /nfs/dbraw/zinc/39/51/57/278395157.db2.gz FMJBXIVBBAIJGP-LLVKDONJSA-N 2 1 327.454 0.501 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738448 435962980 /nfs/dbraw/zinc/96/29/80/435962980.db2.gz DIBJKSBMBZZDBP-AEFFLSMTSA-N 2 1 346.475 0.819 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000069738448 435962985 /nfs/dbraw/zinc/96/29/85/435962985.db2.gz DIBJKSBMBZZDBP-AEFFLSMTSA-N 2 1 346.475 0.819 50 0 ECAAMP CCCC[N@@H+](CCO)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000070947691 435998677 /nfs/dbraw/zinc/99/86/77/435998677.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 2 1 329.485 0.554 50 0 ECAAMP CCCC[NH+](CCO)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000070947691 435998682 /nfs/dbraw/zinc/99/86/82/435998682.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 2 1 329.485 0.554 50 0 ECAAMP CCCC[NH+](CCO)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000070947691 435998688 /nfs/dbraw/zinc/99/86/88/435998688.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 2 1 329.485 0.554 50 0 ECAAMP CN1c2ccccc2C2(CC[NH+](C[C@@]3(O)C[NH2+]CCOC3)CC2)C1=O ZINC000077423563 436235149 /nfs/dbraw/zinc/23/51/49/436235149.db2.gz BIJVCIJMXJRARK-SFHVURJKSA-N 2 1 345.443 0.348 50 0 ECAAMP CCN(C)c1cc[nH+]c(N2CCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000065382137 436655254 /nfs/dbraw/zinc/65/52/54/436655254.db2.gz DAFBCCVQDUOTKQ-UHFFFAOYSA-N 2 1 328.424 0.940 50 0 ECAAMP COc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)cc(OC)c1OC ZINC000065395529 436656833 /nfs/dbraw/zinc/65/68/33/436656833.db2.gz CZJMMMVCPGYJHH-FZKQIMNGSA-N 2 1 349.431 0.480 50 0 ECAAMP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000065502666 436665559 /nfs/dbraw/zinc/66/55/59/436665559.db2.gz AWAATHOHMMZDJW-UHFFFAOYSA-N 2 1 346.479 0.754 50 0 ECAAMP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000249092698 436814823 /nfs/dbraw/zinc/81/48/23/436814823.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)C1CC1 ZINC000249092698 436814828 /nfs/dbraw/zinc/81/48/28/436814828.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000249092698 436814831 /nfs/dbraw/zinc/81/48/31/436814831.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000247396094 436793842 /nfs/dbraw/zinc/79/38/42/436793842.db2.gz XWCQHFWNFJLUBN-ZIAGYGMSSA-N 2 1 335.452 0.828 50 0 ECAAMP C[N@H+]1CCOC[C@H](CNC(=O)c2cc(Cl)ccc2OCC[NH3+])C1 ZINC000426398982 438057966 /nfs/dbraw/zinc/05/79/66/438057966.db2.gz FRLDYXYAHMYCRC-GFCCVEGCSA-N 2 1 341.839 0.986 50 0 ECAAMP O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CC([NH+]2CCCCC2)C1 ZINC000067946839 215256320 /nfs/dbraw/zinc/25/63/20/215256320.db2.gz TZEPVNKJDJEBAS-AWEZNQCLSA-N 2 1 332.452 0.588 50 0 ECAAMP CCOCc1nc2c(c(N3CC[N@H+]4CCC[C@@H]4C3)n1)CC[NH2+]CC2 ZINC000072463152 216245748 /nfs/dbraw/zinc/24/57/48/216245748.db2.gz CFFOFVKPDHZWPW-CQSZACIVSA-N 2 1 331.464 0.986 50 0 ECAAMP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@](C)(C1)C2O ZINC000091650757 218039970 /nfs/dbraw/zinc/03/99/70/218039970.db2.gz DGGZISIEXLYEML-LNRIEFBSSA-N 2 1 335.452 0.187 50 0 ECAAMP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2O ZINC000091650757 218039973 /nfs/dbraw/zinc/03/99/73/218039973.db2.gz DGGZISIEXLYEML-LNRIEFBSSA-N 2 1 335.452 0.187 50 0 ECAAMP CC(C)[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CCC[N@H+]1CC1CC1 ZINC000071764374 436011243 /nfs/dbraw/zinc/01/12/43/436011243.db2.gz CZXIPFKPMRABEJ-INIZCTEOSA-N 2 1 334.468 0.819 50 0 ECAAMP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000071877129 436024708 /nfs/dbraw/zinc/02/47/08/436024708.db2.gz YHRAHFTZQUDUKJ-APWZRJJASA-N 2 1 333.476 0.404 50 0 ECAAMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000114453883 436641754 /nfs/dbraw/zinc/64/17/54/436641754.db2.gz NYQKARZRRDEHPJ-UHFFFAOYSA-N 2 1 338.496 0.776 50 0 ECAAMP CCNC(=O)COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000069531264 436779997 /nfs/dbraw/zinc/77/99/97/436779997.db2.gz XLWQIHSRGXQFJI-MRXNPFEDSA-N 2 1 335.448 0.748 50 0 ECAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000188107638 437529411 /nfs/dbraw/zinc/52/94/11/437529411.db2.gz SLNZMTOGHRJRML-IIDMSEBBSA-N 2 1 347.459 0.900 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426521575 753152313 /nfs/dbraw/zinc/15/23/13/753152313.db2.gz YGTOBJVVDWKNEY-INIZCTEOSA-N 2 1 335.452 0.680 50 0 ECAAMP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426521575 753152316 /nfs/dbraw/zinc/15/23/16/753152316.db2.gz YGTOBJVVDWKNEY-INIZCTEOSA-N 2 1 335.452 0.680 50 0 ECAAMP CCOCC[N@@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@H](CO)C1 ZINC000097696242 219048436 /nfs/dbraw/zinc/04/84/36/219048436.db2.gz XBNAICFFBPJFJQ-HNNXBMFYSA-N 2 1 349.479 0.996 50 0 ECAAMP CCOCC[N@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@H](CO)C1 ZINC000097696242 219048438 /nfs/dbraw/zinc/04/84/38/219048438.db2.gz XBNAICFFBPJFJQ-HNNXBMFYSA-N 2 1 349.479 0.996 50 0 ECAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCNC(=O)c1cccnc1)CC[NH2+]CC2 ZINC000072430910 216223658 /nfs/dbraw/zinc/22/36/58/216223658.db2.gz NFGPQWCTXIEHOR-HNNXBMFYSA-N 2 1 345.447 0.002 50 0 ECAAMP C[C@H](CCn1cncn1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000095416706 218356106 /nfs/dbraw/zinc/35/61/06/218356106.db2.gz VBRRFFCKFWPANA-CQSZACIVSA-N 2 1 330.440 0.388 50 0 ECAAMP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261646870 165220345 /nfs/dbraw/zinc/22/03/45/165220345.db2.gz JATAZRHGTVZRED-KRWDZBQOSA-N 2 1 346.475 0.740 50 0 ECAAMP CN1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)CC12CC[NH2+]CC2 ZINC000097766213 277209057 /nfs/dbraw/zinc/20/90/57/277209057.db2.gz ZANNQFAEUFNBSV-SFHVURJKSA-N 2 1 342.487 0.939 50 0 ECAAMP CN1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)CC12CC[NH2+]CC2 ZINC000097766213 277209058 /nfs/dbraw/zinc/20/90/58/277209058.db2.gz ZANNQFAEUFNBSV-SFHVURJKSA-N 2 1 342.487 0.939 50 0 ECAAMP Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CC[NH+](C)CC3)C2)cc1=O ZINC000077321819 436230801 /nfs/dbraw/zinc/23/08/01/436230801.db2.gz AXBDKHXYFNMXPV-INIZCTEOSA-N 2 1 335.452 0.059 50 0 ECAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2C1 ZINC000082120317 436362036 /nfs/dbraw/zinc/36/20/36/436362036.db2.gz CQLYPWLEMJAKRH-HNNXBMFYSA-N 2 1 335.452 0.349 50 0 ECAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CN2CCOCC2)C(C)C)CC1 ZINC000095941471 436499843 /nfs/dbraw/zinc/49/98/43/436499843.db2.gz SIJXCTCWOKJYEQ-SJORKVTESA-N 2 1 340.512 0.485 50 0 ECAAMP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000107351196 436611819 /nfs/dbraw/zinc/61/18/19/436611819.db2.gz QIWGSAFCLKQBPN-RCCFBDPRSA-N 2 1 327.513 0.856 50 0 ECAAMP CCn1cnnc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065403368 436658269 /nfs/dbraw/zinc/65/82/69/436658269.db2.gz AKPBYVMKUUDZFY-RDTXWAMCSA-N 2 1 346.479 0.421 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCn2nnc3ccccc32)C1 ZINC000065461033 436663203 /nfs/dbraw/zinc/66/32/03/436663203.db2.gz BGYLMWRVCFNBIW-CXAGYDPISA-N 2 1 328.420 0.089 50 0 ECAAMP CCc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065528379 436666705 /nfs/dbraw/zinc/66/67/05/436666705.db2.gz BSBHITVKNGMDQF-DNVCBOLYSA-N 2 1 344.459 0.845 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188107584 437528524 /nfs/dbraw/zinc/52/85/24/437528524.db2.gz SLNZMTOGHRJRML-RVKKMQEKSA-N 2 1 347.459 0.900 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188107584 437528531 /nfs/dbraw/zinc/52/85/31/437528531.db2.gz SLNZMTOGHRJRML-RVKKMQEKSA-N 2 1 347.459 0.900 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940610 549726912 /nfs/dbraw/zinc/72/69/12/549726912.db2.gz PRIJUFIEQGZAHT-XHSDSOJGSA-N 3 1 326.485 0.307 50 0 ECAAMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940610 549726914 /nfs/dbraw/zinc/72/69/14/549726914.db2.gz PRIJUFIEQGZAHT-XHSDSOJGSA-N 2 1 326.485 0.307 50 0 ECAAMP CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)n1 ZINC000169790927 609746906 /nfs/dbraw/zinc/74/69/06/609746906.db2.gz IBZFAWXBVWZNRD-RHSMWYFYSA-N 2 1 349.479 0.674 50 0 ECAAMP CCn1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)n1 ZINC000169790927 609746907 /nfs/dbraw/zinc/74/69/07/609746907.db2.gz IBZFAWXBVWZNRD-RHSMWYFYSA-N 2 1 349.479 0.674 50 0 ECAAMP CC[NH+]1CCC(Cn2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)nn2)CC1 ZINC000023339853 212369318 /nfs/dbraw/zinc/36/93/18/212369318.db2.gz NOBMYNQTBQJHAG-HNNXBMFYSA-N 2 1 334.468 0.707 50 0 ECAAMP CC[NH+]1CCC(Cn2cc(C[N@H+]3CCC[C@H](C(N)=O)C3)nn2)CC1 ZINC000023339853 212369321 /nfs/dbraw/zinc/36/93/21/212369321.db2.gz NOBMYNQTBQJHAG-HNNXBMFYSA-N 2 1 334.468 0.707 50 0 ECAAMP C[NH2+]CC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095387161 218319595 /nfs/dbraw/zinc/31/95/95/218319595.db2.gz DPPNSHSPTCNFOZ-ZDUSSCGKSA-N 2 1 331.424 0.294 50 0 ECAAMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c2)CCO1 ZINC000237422437 288215669 /nfs/dbraw/zinc/21/56/69/288215669.db2.gz RAXVADJQQWSUBX-XYPHTWIQSA-N 2 1 333.432 0.246 50 0 ECAAMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c2)CCO1 ZINC000237422437 288215671 /nfs/dbraw/zinc/21/56/71/288215671.db2.gz RAXVADJQQWSUBX-XYPHTWIQSA-N 2 1 333.432 0.246 50 0 ECAAMP Cc1cc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n(C)n1 ZINC000069778636 435964062 /nfs/dbraw/zinc/96/40/62/435964062.db2.gz GJQCGKPQAZZTFR-AWEZNQCLSA-N 2 1 337.468 0.692 50 0 ECAAMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000073382754 436074997 /nfs/dbraw/zinc/07/49/97/436074997.db2.gz LBBKLUSMUWYPTB-GOSISDBHSA-N 2 1 346.475 0.775 50 0 ECAAMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000073382754 436075004 /nfs/dbraw/zinc/07/50/04/436075004.db2.gz LBBKLUSMUWYPTB-GOSISDBHSA-N 2 1 346.475 0.775 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000075131246 436151261 /nfs/dbraw/zinc/15/12/61/436151261.db2.gz AYKUQTZNLBRCSZ-HNNXBMFYSA-N 2 1 335.448 0.766 50 0 ECAAMP Cc1cc2c(cc1C[N@H+]1CC[C@@H](CNC(=O)C3C[NH2+]C3)C1)OCCO2 ZINC000067867416 436727151 /nfs/dbraw/zinc/72/71/51/436727151.db2.gz SKIBREGDOWXMAD-AWEZNQCLSA-N 2 1 345.443 0.924 50 0 ECAAMP Cc1c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cnn1C ZINC000091390865 218000362 /nfs/dbraw/zinc/00/03/62/218000362.db2.gz PCGOPZPXYWYNNJ-MJGOQNOKSA-N 2 1 349.523 0.939 50 0 ECAAMP Cc1c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cnn1C ZINC000091390865 218000365 /nfs/dbraw/zinc/00/03/65/218000365.db2.gz PCGOPZPXYWYNNJ-MJGOQNOKSA-N 2 1 349.523 0.939 50 0 ECAAMP O[C@]1(C[NH2+]CCc2nccc(-c3ccccc3)n2)C[NH2+]CCOC1 ZINC000077299682 436230237 /nfs/dbraw/zinc/23/02/37/436230237.db2.gz VNCIFZBJJPLSBS-GOSISDBHSA-N 2 1 328.416 0.627 50 0 ECAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH+]1 ZINC000097200907 436542085 /nfs/dbraw/zinc/54/20/85/436542085.db2.gz SCRQUVPHRHGFLD-AWEZNQCLSA-N 2 1 343.431 0.721 50 0 ECAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)[nH+]1 ZINC000097200907 436542090 /nfs/dbraw/zinc/54/20/90/436542090.db2.gz SCRQUVPHRHGFLD-AWEZNQCLSA-N 2 1 343.431 0.721 50 0 ECAAMP C[C@H](O)C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869154 436603124 /nfs/dbraw/zinc/60/31/24/436603124.db2.gz CKOXUYOBWGODAG-UWVAXJGDSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869154 436603128 /nfs/dbraw/zinc/60/31/28/436603128.db2.gz CKOXUYOBWGODAG-UWVAXJGDSA-N 2 1 347.503 0.793 50 0 ECAAMP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869154 436603131 /nfs/dbraw/zinc/60/31/31/436603131.db2.gz CKOXUYOBWGODAG-UWVAXJGDSA-N 2 1 347.503 0.793 50 0 ECAAMP CC(C)[NH+]1CCC(N2CCN(c3cc(N)[nH+]cn3)C[C@H]2CCO)CC1 ZINC000106946311 436607031 /nfs/dbraw/zinc/60/70/31/436607031.db2.gz SHULAXLPUZNDQG-MRXNPFEDSA-N 2 1 348.495 0.805 50 0 ECAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NCc1cc(=O)[nH]cn1)CC[NH+](C)CC2 ZINC000072458793 216243677 /nfs/dbraw/zinc/24/36/77/216243677.db2.gz FZOLWVNSYNNRIG-OAHLLOKOSA-N 2 1 347.463 0.582 50 0 ECAAMP Cn1cc(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020541175 212145831 /nfs/dbraw/zinc/14/58/31/212145831.db2.gz IPFXISIAFXGWKQ-INIZCTEOSA-N 2 1 333.480 0.885 50 0 ECAAMP Cn1cc(CCNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020541175 212145833 /nfs/dbraw/zinc/14/58/33/212145833.db2.gz IPFXISIAFXGWKQ-INIZCTEOSA-N 2 1 333.480 0.885 50 0 ECAAMP Cn1cc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020541173 212146211 /nfs/dbraw/zinc/14/62/11/212146211.db2.gz IPFXISIAFXGWKQ-MRXNPFEDSA-N 2 1 333.480 0.885 50 0 ECAAMP Cn1cc(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000020541173 212146213 /nfs/dbraw/zinc/14/62/13/212146213.db2.gz IPFXISIAFXGWKQ-MRXNPFEDSA-N 2 1 333.480 0.885 50 0 ECAAMP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000091468840 218011092 /nfs/dbraw/zinc/01/10/92/218011092.db2.gz PHHKDFBPEKCULJ-OAHLLOKOSA-N 2 1 345.447 0.236 50 0 ECAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091695117 218050304 /nfs/dbraw/zinc/05/03/04/218050304.db2.gz ZJYGRWKATFKRJP-SFHVURJKSA-N 2 1 347.463 0.785 50 0 ECAAMP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091695117 218050305 /nfs/dbraw/zinc/05/03/05/218050305.db2.gz ZJYGRWKATFKRJP-SFHVURJKSA-N 2 1 347.463 0.785 50 0 ECAAMP c1c(CNc2ncccn2)nn2c1C[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000299758431 258075917 /nfs/dbraw/zinc/07/59/17/258075917.db2.gz POSPPNQXOBCAMU-ZSHCYNCHSA-N 2 1 325.420 0.566 50 0 ECAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069657963 435956686 /nfs/dbraw/zinc/95/66/86/435956686.db2.gz OQVKGIOWBJMRJO-HNNXBMFYSA-N 2 1 334.468 0.591 50 0 ECAAMP Cc1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc(N)[nH+]1 ZINC000075128680 436153625 /nfs/dbraw/zinc/15/36/25/436153625.db2.gz RRFZASUNTPRQKW-OAHLLOKOSA-N 2 1 343.431 0.929 50 0 ECAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCO)CC2)C1)N1CCOCC1 ZINC000082087690 436361031 /nfs/dbraw/zinc/36/10/31/436361031.db2.gz RFICNSASDCXAFK-INIZCTEOSA-N 2 1 339.480 0.404 50 0 ECAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCCO)CC2)C1)N1CCOCC1 ZINC000082087690 436361032 /nfs/dbraw/zinc/36/10/32/436361032.db2.gz RFICNSASDCXAFK-INIZCTEOSA-N 2 1 339.480 0.404 50 0 ECAAMP C[NH+]1CCC(CCNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426368338 438054919 /nfs/dbraw/zinc/05/49/19/438054919.db2.gz RUTBUGOCKNQHJZ-HNNXBMFYSA-N 2 1 349.479 0.372 50 0 ECAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH2+]CC2 ZINC000257182697 244079506 /nfs/dbraw/zinc/07/95/06/244079506.db2.gz GTXUJBAMBIMZOA-CYBMUJFWSA-N 2 1 335.452 0.389 50 0 ECAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2ccccn2)CC1 ZINC000069918473 435977300 /nfs/dbraw/zinc/97/73/00/435977300.db2.gz MPKDZAPBVYFBHI-HNNXBMFYSA-N 2 1 334.464 0.722 50 0 ECAAMP CCOCC[NH+]1CCC2(CC1)CC[N@@H+](CCC(N)=O)C[C@@H]2CO ZINC000102543293 436552374 /nfs/dbraw/zinc/55/23/74/436552374.db2.gz YKCDLEXIOYBHGE-OAHLLOKOSA-N 2 1 327.469 0.295 50 0 ECAAMP COc1cccc(CN2CC[N@@H+](C)[C@H](CO)C2)c1OCC[NH+](C)C ZINC000225330707 436709489 /nfs/dbraw/zinc/70/94/89/436709489.db2.gz HPKTVGCQYFMYLP-INIZCTEOSA-N 2 1 337.464 0.744 50 0 ECAAMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606467 436740044 /nfs/dbraw/zinc/74/00/44/436740044.db2.gz LNDIWMYCVZTQCV-UXLLHSPISA-N 2 1 339.480 0.713 50 0 ECAAMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606467 436740048 /nfs/dbraw/zinc/74/00/48/436740048.db2.gz LNDIWMYCVZTQCV-UXLLHSPISA-N 2 1 339.480 0.713 50 0 ECAAMP COCC[NH+]1CCC(CN(C)C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000584903292 439626466 /nfs/dbraw/zinc/62/64/66/439626466.db2.gz XFSCCKMSFAWRJR-UHFFFAOYSA-N 2 1 340.512 0.441 50 0 ECAAMP CN1CCC2(CC1)CN(C(=O)COC[C@@H]1CCCO1)CCC[N@H+]2C ZINC000067447041 215146523 /nfs/dbraw/zinc/14/65/23/215146523.db2.gz UHVGWXNMNBDZNG-INIZCTEOSA-N 2 1 339.480 0.811 50 0 ECAAMP CN1CCCN(C(=O)COC[C@@H]2CCCO2)CC12CC[NH+](C)CC2 ZINC000067447041 215146528 /nfs/dbraw/zinc/14/65/28/215146528.db2.gz UHVGWXNMNBDZNG-INIZCTEOSA-N 2 1 339.480 0.811 50 0 ECAAMP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420100 263177076 /nfs/dbraw/zinc/17/70/76/263177076.db2.gz RRJDWSAGFPZKDZ-HDMKZQKVSA-N 2 1 334.464 0.189 50 0 ECAAMP CSCC[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000952973909 612138897 /nfs/dbraw/zinc/13/88/97/612138897.db2.gz YWPPVWYVYYVHAS-GASCZTMLSA-N 2 1 329.510 0.993 50 0 ECAAMP CSCC[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000952973909 612138898 /nfs/dbraw/zinc/13/88/98/612138898.db2.gz YWPPVWYVYYVHAS-GASCZTMLSA-N 2 1 329.510 0.993 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000065527093 731766864 /nfs/dbraw/zinc/76/68/64/731766864.db2.gz CHZVMAGCTQBAPQ-VQIMIIECSA-N 2 1 339.443 0.682 50 0 ECAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3ccccc3OCCO)CC[C@H]21 ZINC000072474303 216251426 /nfs/dbraw/zinc/25/14/26/216251426.db2.gz HSBLDSANLDZWOB-DOTOQJQBSA-N 2 1 347.459 0.829 50 0 ECAAMP CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)nc1 ZINC000095376768 218308934 /nfs/dbraw/zinc/30/89/34/218308934.db2.gz FGGZRVLBDGGAIK-QZTJIDSGSA-N 2 1 332.492 0.932 50 0 ECAAMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000195571666 288145916 /nfs/dbraw/zinc/14/59/16/288145916.db2.gz HWEGKPQSVKSYDZ-RBSFLKMASA-N 2 1 326.485 0.956 50 0 ECAAMP C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408145 436235186 /nfs/dbraw/zinc/23/51/86/436235186.db2.gz CSKDTLSUUWWHAF-CYBMUJFWSA-N 2 1 328.420 0.413 50 0 ECAAMP O=C(NCC[NH2+]C[C@]1(O)C[NH2+]CCOC1)c1ccccc1Cl ZINC000077505759 436240229 /nfs/dbraw/zinc/24/02/29/436240229.db2.gz OQVIXGBZGZORFF-HNNXBMFYSA-N 2 1 327.812 0.010 50 0 ECAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 ZINC000065375424 436656498 /nfs/dbraw/zinc/65/64/98/436656498.db2.gz GVQNGRMYCHXAKT-RDTXWAMCSA-N 2 1 343.406 0.779 50 0 ECAAMP CC[N@H+]1CCC[C@@H](NC(=O)c2nn(CCOC)c3c2C[NH2+]CC3)C1 ZINC000257191200 436859683 /nfs/dbraw/zinc/85/96/83/436859683.db2.gz PMTJDQLJHULVNG-CYBMUJFWSA-N 2 1 335.452 0.389 50 0 ECAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(OC)c(OCC[NH3+])c1 ZINC000426612626 438068570 /nfs/dbraw/zinc/06/85/70/438068570.db2.gz SROXKFYWKKKUEG-BBRMVZONSA-N 2 1 337.420 0.482 50 0 ECAAMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H](O)C(F)(F)F ZINC000408519044 438581203 /nfs/dbraw/zinc/58/12/03/438581203.db2.gz VQMIQYGOBRVNAV-STQMWFEESA-N 2 1 325.375 0.688 50 0 ECAAMP COCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000952968527 612138943 /nfs/dbraw/zinc/13/89/43/612138943.db2.gz MIEUMNHUJBZLDF-INIZCTEOSA-N 2 1 326.485 0.051 50 0 ECAAMP COCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000952968527 612138945 /nfs/dbraw/zinc/13/89/45/612138945.db2.gz MIEUMNHUJBZLDF-INIZCTEOSA-N 2 1 326.485 0.051 50 0 ECAAMP